 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer08_STD_LCPBE_augccpVDZ.in
 Output=10_L-serine_conformer08_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-73741.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     73742.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=10_L-serine_conformer08_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=036000000
 0,3/108=0360000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=360000000,108=360000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:17:41 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "10_L-serine_conformer08_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.250904000000     -0.690050000000      0.276818000000
  C                                                 0.189479000000      0.206848000000     -0.338320000000
  C                                                -1.218867000000     -0.343463000000     -0.063422000000
  O                                                -2.139786000000      0.610664000000      0.106878000000
  O                                                 2.516052000000     -0.170687000000     -0.121294000000
  N                                                 0.262737000000      1.614990000000      0.062074000000
  O                                                -1.475252000000     -1.516387000000     -0.031909000000
  H                                                 0.312462000000      0.172012000000     -1.425027000000
  H                                                 1.148785000000     -0.681214000000      1.370514000000
  H                                                 1.101193000000     -1.714061000000     -0.069890000000
  H                                                -1.645638000000      1.460867000000      0.062581000000
  H                                                 0.529234000000      1.694360000000      1.038405000000
  H                                                 0.970182000000      2.101499000000     -0.472846000000
  H                                                 3.207414000000     -0.767126000000      0.181892000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:17:42 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.250904   -0.690050    0.276818
      2          6           0        0.189479    0.206848   -0.338320
      3          6           0       -1.218867   -0.343463   -0.063422
      4          8           0       -2.139786    0.610664    0.106878
      5          8           0        2.516052   -0.170687   -0.121294
      6          7           0        0.262737    1.614990    0.062074
      7          8           0       -1.475252   -1.516387   -0.031909
      8          1           0        0.312462    0.172012   -1.425027
      9          1           0        1.148785   -0.681214    1.370514
     10          1           0        1.101193   -1.714061   -0.069890
     11          1           0       -1.645638    1.460867    0.062581
     12          1           0        0.529234    1.694360    1.038405
     13          1           0        0.970182    2.101499   -0.472846
     14          1           0        3.207414   -0.767126    0.181892
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519685   0.000000
     3  C    2.517073   1.536831   0.000000
     4  O    3.635590   2.405565   1.336956   0.000000
     5  O    1.424370   2.366976   3.739361   4.726457   0.000000
     6  N    2.517101   1.465792   2.458951   2.604380   2.880919
     7  O    2.865322   2.415524   1.201032   2.232759   4.213004
     8  H    2.126053   1.094199   2.112972   2.924495   2.583209
     9  H    1.098489   2.151519   2.788552   3.752389   2.086995
    10  H    1.091429   2.143168   2.694672   3.992435   2.094391
    11  H    3.614180   2.258526   1.858391   0.984373   4.473862
    12  H    2.605040   2.055115   2.902172   3.027508   2.961545
    13  H    2.904057   2.053606   3.307174   3.497223   2.770583
    14  H    1.960327   3.213593   4.453272   5.522362   0.962103
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.582591   0.000000
     8  H    2.072710   2.826197   0.000000
     9  H    2.787409   3.090287   3.040145   0.000000
    10  H    3.435550   2.584296   2.452705   1.773077   0.000000
    11  H    1.914589   2.983622   2.776379   3.756062   4.200333
    12  H    1.015156   3.933501   2.903968   2.477396   3.629434
    13  H    1.011587   4.389040   2.249925   3.342659   3.839015
    14  H    3.789453   4.747048   3.441644   2.378688   2.322982
                   11         12         13         14
    11  H    0.000000
    12  H    2.395166   0.000000
    13  H    2.745834   1.626062   0.000000
    14  H    5.341376   3.737001   3.696336   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.81D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.250904   -0.690050    0.276818
      2          6           0        0.189479    0.206848   -0.338320
      3          6           0       -1.218867   -0.343463   -0.063422
      4          8           0       -2.139786    0.610664    0.106878
      5          8           0        2.516052   -0.170687   -0.121294
      6          7           0        0.262737    1.614990    0.062074
      7          8           0       -1.475252   -1.516387   -0.031909
      8          1           0        0.312462    0.172012   -1.425027
      9          1           0        1.148785   -0.681214    1.370514
     10          1           0        1.101193   -1.714061   -0.069890
     11          1           0       -1.645638    1.460867    0.062581
     12          1           0        0.529234    1.694360    1.038405
     13          1           0        0.970182    2.101499   -0.472846
     14          1           0        3.207414   -0.767126    0.181892
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.6422497           1.8564853           1.3850769
 Leave Link  202 at Mon Aug 16 21:17:42 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       322.5377908605 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.360000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.360000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:17:43 2021, MaxMem=  5637144576 cpu:              11.8 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  2.16D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Mon Aug 16 21:17:44 2021, MaxMem=  5637144576 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:17:44 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer08_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:17:44 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637027028 LenY=  5636969943
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -397.922192919913    
 DIIS: error= 3.17D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -397.922192919913     IErMin= 1 ErrMin= 3.17D-03
 ErrMax= 3.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-02 BMatP= 1.08D-02
 IDIUse=3 WtCom= 9.68D-01 WtEn= 3.17D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.450 Goal=   None    Shift=    0.000
 GapD=    0.450 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.97D-03 MaxDP=2.20D-01              OVMax= 2.17D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.94D-03    CP:  9.76D-01
 E= -397.931457023355     Delta-E=       -0.009264103442 Rises=F Damp=F
 DIIS: error= 1.51D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -397.931457023355     IErMin= 2 ErrMin= 1.51D-03
 ErrMax= 1.51D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-03 BMatP= 1.08D-02
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.51D-02
 Coeff-Com:  0.153D+00 0.847D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.150D+00 0.850D+00
 Gap=     0.402 Goal=   None    Shift=    0.000
 RMSDP=9.70D-04 MaxDP=3.59D-02 DE=-9.26D-03 OVMax= 1.08D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.89D-04    CP:  9.72D-01  1.11D+00
 E= -397.932026740355     Delta-E=       -0.000569717000 Rises=F Damp=F
 DIIS: error= 1.18D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -397.932026740355     IErMin= 3 ErrMin= 1.18D-03
 ErrMax= 1.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-03 BMatP= 1.55D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.18D-02
 Coeff-Com: -0.462D-01 0.453D+00 0.593D+00
 Coeff-En:   0.000D+00 0.332D+00 0.668D+00
 Coeff:     -0.456D-01 0.452D+00 0.594D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.69D-04 MaxDP=1.17D-02 DE=-5.70D-04 OVMax= 5.01D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.24D-04    CP:  9.71D-01  1.16D+00  1.06D+00
 E= -397.932770626102     Delta-E=       -0.000743885747 Rises=F Damp=F
 DIIS: error= 1.46D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -397.932770626102     IErMin= 4 ErrMin= 1.46D-04
 ErrMax= 1.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-05 BMatP= 1.05D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.46D-03
 Coeff-Com: -0.142D-01 0.568D-01 0.125D+00 0.832D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.142D-01 0.567D-01 0.125D+00 0.833D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.16D-04 MaxDP=4.97D-03 DE=-7.44D-04 OVMax= 1.38D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.66D-05    CP:  9.70D-01  1.17D+00  1.19D+00  1.13D+00
 E= -397.932783747091     Delta-E=       -0.000013120989 Rises=F Damp=F
 DIIS: error= 1.14D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -397.932783747091     IErMin= 5 ErrMin= 1.14D-04
 ErrMax= 1.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.77D-06 BMatP= 1.36D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.14D-03
 Coeff-Com:  0.169D-02-0.567D-01-0.468D-01 0.451D+00 0.651D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.169D-02-0.566D-01-0.468D-01 0.450D+00 0.651D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=4.66D-05 MaxDP=1.99D-03 DE=-1.31D-05 OVMax= 8.05D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.85D-05    CP:  9.69D-01  1.17D+00  1.23D+00  1.21D+00  1.04D+00
 E= -397.932789772311     Delta-E=       -0.000006025221 Rises=F Damp=F
 DIIS: error= 1.93D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -397.932789772311     IErMin= 6 ErrMin= 1.93D-05
 ErrMax= 1.93D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.34D-07 BMatP= 6.77D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.217D-02-0.253D-01-0.295D-01 0.749D-01 0.230D+00 0.747D+00
 Coeff:      0.217D-02-0.253D-01-0.295D-01 0.749D-01 0.230D+00 0.747D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=9.75D-06 MaxDP=4.52D-04 DE=-6.03D-06 OVMax= 2.32D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.83D-06    CP:  9.69D-01  1.17D+00  1.24D+00  1.22D+00  1.09D+00
                    CP:  1.14D+00
 E= -397.932790177818     Delta-E=       -0.000000405507 Rises=F Damp=F
 DIIS: error= 5.85D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -397.932790177818     IErMin= 7 ErrMin= 5.85D-06
 ErrMax= 5.85D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-08 BMatP= 3.34D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.252D-03 0.146D-02-0.722D-03-0.417D-01-0.265D-01 0.187D+00
 Coeff-Com:  0.880D+00
 Coeff:      0.252D-03 0.146D-02-0.722D-03-0.417D-01-0.265D-01 0.187D+00
 Coeff:      0.880D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.05D-06 MaxDP=1.29D-04 DE=-4.06D-07 OVMax= 1.05D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.85D-06    CP:  9.69D-01  1.17D+00  1.24D+00  1.22D+00  1.13D+00
                    CP:  1.23D+00  1.09D+00
 E= -397.932790226799     Delta-E=       -0.000000048981 Rises=F Damp=F
 DIIS: error= 2.25D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -397.932790226799     IErMin= 8 ErrMin= 2.25D-06
 ErrMax= 2.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.60D-09 BMatP= 2.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-03 0.294D-02 0.271D-02-0.214D-01-0.310D-01-0.962D-02
 Coeff-Com:  0.292D+00 0.764D+00
 Coeff:     -0.130D-03 0.294D-02 0.271D-02-0.214D-01-0.310D-01-0.962D-02
 Coeff:      0.292D+00 0.764D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.07D-06 MaxDP=4.13D-05 DE=-4.90D-08 OVMax= 2.67D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.01D-07    CP:  9.69D-01  1.17D+00  1.24D+00  1.22D+00  1.13D+00
                    CP:  1.25D+00  1.14D+00  1.16D+00
 E= -397.932790231901     Delta-E=       -0.000000005102 Rises=F Damp=F
 DIIS: error= 6.72D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -397.932790231901     IErMin= 9 ErrMin= 6.72D-07
 ErrMax= 6.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.56D-10 BMatP= 3.60D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.581D-04 0.674D-03 0.863D-03-0.184D-02-0.611D-02-0.250D-01
 Coeff-Com: -0.113D-01 0.225D+00 0.817D+00
 Coeff:     -0.581D-04 0.674D-03 0.863D-03-0.184D-02-0.611D-02-0.250D-01
 Coeff:     -0.113D-01 0.225D+00 0.817D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=4.11D-07 MaxDP=2.10D-05 DE=-5.10D-09 OVMax= 1.03D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.75D-07    CP:  9.69D-01  1.17D+00  1.24D+00  1.22D+00  1.13D+00
                    CP:  1.25D+00  1.16D+00  1.27D+00  1.13D+00
 E= -397.932790232487     Delta-E=       -0.000000000586 Rises=F Damp=F
 DIIS: error= 2.17D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -397.932790232487     IErMin=10 ErrMin= 2.17D-07
 ErrMax= 2.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.02D-11 BMatP= 3.56D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.311D-05-0.203D-03-0.133D-03 0.211D-02 0.250D-02-0.473D-02
 Coeff-Com: -0.340D-01-0.392D-01 0.159D+00 0.914D+00
 Coeff:      0.311D-05-0.203D-03-0.133D-03 0.211D-02 0.250D-02-0.473D-02
 Coeff:     -0.340D-01-0.392D-01 0.159D+00 0.914D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.43D-07 MaxDP=9.82D-06 DE=-5.86D-10 OVMax= 4.50D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.63D-08    CP:  9.69D-01  1.17D+00  1.24D+00  1.22D+00  1.13D+00
                    CP:  1.25D+00  1.15D+00  1.29D+00  1.22D+00  1.21D+00
 E= -397.932790232555     Delta-E=       -0.000000000068 Rises=F Damp=F
 DIIS: error= 7.84D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -397.932790232555     IErMin=11 ErrMin= 7.84D-08
 ErrMax= 7.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.17D-12 BMatP= 3.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.514D-05-0.125D-03-0.117D-03 0.924D-03 0.145D-02 0.310D-03
 Coeff-Com: -0.110D-01-0.331D-01-0.169D-01 0.312D+00 0.747D+00
 Coeff:      0.514D-05-0.125D-03-0.117D-03 0.924D-03 0.145D-02 0.310D-03
 Coeff:     -0.110D-01-0.331D-01-0.169D-01 0.312D+00 0.747D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.21D-08 MaxDP=1.62D-06 DE=-6.82D-11 OVMax= 1.51D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.09D-08    CP:  9.69D-01  1.17D+00  1.24D+00  1.22D+00  1.13D+00
                    CP:  1.25D+00  1.15D+00  1.30D+00  1.24D+00  1.30D+00
                    CP:  1.16D+00
 E= -397.932790232551     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 2.82D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -397.932790232555     IErMin=12 ErrMin= 2.82D-08
 ErrMax= 2.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.87D-13 BMatP= 5.17D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.141D-05-0.350D-05-0.172D-04-0.106D-03 0.108D-05 0.895D-03
 Coeff-Com:  0.264D-02-0.239D-02-0.323D-01-0.716D-01 0.233D+00 0.870D+00
 Coeff:      0.141D-05-0.350D-05-0.172D-04-0.106D-03 0.108D-05 0.895D-03
 Coeff:      0.264D-02-0.239D-02-0.323D-01-0.716D-01 0.233D+00 0.870D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.67D-08 MaxDP=6.71D-07 DE= 4.09D-12 OVMax= 9.11D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.20D-09    CP:  9.69D-01  1.17D+00  1.24D+00  1.22D+00  1.13D+00
                    CP:  1.25D+00  1.15D+00  1.30D+00  1.24D+00  1.33D+00
                    CP:  1.29D+00  1.20D+00
 E= -397.932790232559     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 1.02D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -397.932790232559     IErMin=13 ErrMin= 1.02D-08
 ErrMax= 1.02D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.59D-14 BMatP= 7.87D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-06 0.136D-04 0.846D-05-0.136D-03-0.164D-03 0.232D-03
 Coeff-Com:  0.198D-02 0.329D-02-0.702D-02-0.564D-01-0.263D-01 0.228D+00
 Coeff-Com:  0.856D+00
 Coeff:     -0.156D-06 0.136D-04 0.846D-05-0.136D-03-0.164D-03 0.232D-03
 Coeff:      0.198D-02 0.329D-02-0.702D-02-0.564D-01-0.263D-01 0.228D+00
 Coeff:      0.856D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=5.99D-09 MaxDP=2.49D-07 DE=-7.73D-12 OVMax= 3.63D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -397.932790233     A.U. after   13 cycles
            NFock= 13  Conv=0.60D-08     -V/T= 2.0052
 KE= 3.958688502182D+02 PE=-1.579490835004D+03 EE= 4.631514036926D+02
 Leave Link  502 at Mon Aug 16 21:18:35 2021, MaxMem=  5637144576 cpu:             408.5 elap:              51.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.50546886D+02

 Leave Link  801 at Mon Aug 16 21:18:36 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 3.28D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 2.07D-01 8.67D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 2.98D-02 4.79D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 2.19D-03 1.15D-02.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 1.36D-04 2.70D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 4.37D-06 3.56D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 1.49D-07 4.45D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 3.79D-09 7.85D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 7.37D-11 1.14D-06.
      9 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 1.21D-12 1.72D-07.
      2 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 1.78D-14 1.71D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.664453D+02
      2 -0.299083D+00  0.648136D+02
      3 -0.678947D+00 -0.233405D+00  0.479534D+02
 Isotropic polarizability for W=    0.088559       59.74 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.293957D+02 -0.388982D+01 -0.108560D+01
      2  -0.194473D+02  0.223737D+01 -0.212432D+01
      3  -0.994839D+01  0.165245D+01  0.320992D+01
      4   0.111002D+01 -0.924691D+01 -0.335262D+01
      5   0.330994D+01 -0.532638D+01  0.249941D+02
      6  -0.181313D+01  0.230355D+01  0.636046D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.635989D+00 -0.175543D+01 -0.142238D+01
      2   0.223760D+01 -0.841240D+00  0.112080D+02
      3   0.567501D+01  0.507789D+01  0.190489D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.197376D+01  0.442787D+01 -0.470801D+01
      2  -0.439554D+01 -0.153949D+01  0.349425D+02
      3   0.499984D+01 -0.102004D+02  0.351325D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.383849D-01 -0.116502D+00 -0.102668D+01
      2  -0.116502D+00  0.249577D+00 -0.978711D+00
      3  -0.102668D+01 -0.978711D+00  0.139698D+00
 OR G Eigenvalues:    -1.3417     0.2648     1.5046  Iso=    -0.1426
 Eigenvectors:
   (1)   0.553236   0.465416   0.690882
   (2)  -0.692776   0.717617   0.071327
   (3)  -0.462592  -0.518087   0.719440
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1426 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      -68.78 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 5.66D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.41D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 4.00D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 5.27D-02 5.79D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 8.22D-04 4.24D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 1.16D-05 4.57D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 1.34D-07 4.78D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 1.28D-09 4.03D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 9.51D-12 3.03D-07.
     30 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 6.21D-14 2.46D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.08D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.08D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.44D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.664453D+02 -0.299083D+00 -0.678947D+00
      2  -0.299083D+00  0.648136D+02 -0.233405D+00
      3  -0.678947D+00 -0.233405D+00  0.479534D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.635989D+00 -0.175543D+01 -0.142238D+01
      2   0.223760D+01 -0.841240D+00  0.112080D+02
      3   0.567501D+01  0.507789D+01  0.190489D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.293957D+02 -0.388982D+01 -0.108560D+01
      2  -0.194473D+02  0.223737D+01 -0.212432D+01
      3  -0.994839D+01  0.165245D+01  0.320992D+01
      4   0.111002D+01 -0.924691D+01 -0.335262D+01
      5   0.330994D+01 -0.532638D+01  0.249941D+02
      6  -0.181313D+01  0.230355D+01  0.636046D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.103006D+01 -0.203273D+01  0.892505D+00 -0.277082D+01  0.127393D+01
      2  -0.203273D+01  0.222500D+01 -0.349814D+00  0.127393D+01  0.398224D+01
      3   0.892505D+00 -0.349814D+00  0.119350D+01  0.116250D-01  0.157447D+01
                 6             7             8             9            10 
      1   0.116250D-01  0.158387D+01 -0.238775D+00  0.120594D+01  0.116182D+01
      2   0.157447D+01 -0.238775D+00  0.195859D+01  0.868757D+00  0.285731D+01
      3   0.520311D+00  0.120594D+01  0.868757D+00 -0.748581D+01 -0.545478D+00
                11            12            13            14            15 
      1   0.285731D+01 -0.545478D+00  0.215272D+01 -0.245633D+00 -0.579845D-02
      2  -0.196087D+01  0.507087D+00 -0.245633D+00 -0.315060D+01 -0.736490D+00
      3   0.507087D+00 -0.489425D+00 -0.579845D-02 -0.736490D+00  0.321753D+00
                16            17            18            19            20 
      1  -0.358085D+00  0.970632D+00 -0.705821D+00 -0.180466D+01 -0.171723D+01
      2   0.970632D+00 -0.132847D+01 -0.132789D+00 -0.171723D+01  0.176875D+01
      3  -0.705821D+00 -0.132789D+00  0.677114D+01 -0.159828D+00 -0.257959D-01
                21            22            23            24            25 
      1  -0.159828D+00 -0.921593D-01  0.230213D+01  0.342251D-01  0.338861D-01
      2  -0.257959D-01  0.230213D+01  0.611117D+01 -0.402529D-01  0.130491D+00
      3  -0.302569D+00  0.342251D-01 -0.402529D-01  0.348406D+00 -0.157388D+00
                26            27            28            29            30 
      1   0.130491D+00 -0.157388D+00 -0.781596D+01  0.167709D+01  0.358548D+00
      2   0.340690D+00  0.342978D+00  0.167709D+01 -0.271271D+01 -0.190723D+00
      3   0.342978D+00 -0.480505D+00  0.358548D+00 -0.190723D+00 -0.107565D+01
                31            32            33            34            35 
      1  -0.180617D+01 -0.365656D+01 -0.733096D-01  0.861269D+00 -0.176662D+00
      2  -0.365656D+01 -0.528044D+00  0.172412D+00 -0.176662D+00  0.169564D+00
      3  -0.733096D-01  0.172412D+00  0.574365D+00 -0.173614D+01  0.125646D+01
                36            37            38            39            40 
      1  -0.173614D+01  0.163532D+01  0.266694D+01 -0.143094D+01  0.581083D+01
      2   0.125646D+01  0.266694D+01 -0.982932D+00  0.583863D+00 -0.588650D+00
      3   0.719054D+00 -0.143094D+01  0.583863D+00 -0.450166D+00  0.548869D+00
                41            42            43            44            45 
      1  -0.588650D+00  0.548869D+00 -0.346513D+01  0.700607D+00  0.831603D+00
      2   0.238815D+01 -0.978460D+00  0.700607D+00 -0.109215D+01  0.455735D+00
      3  -0.978460D+00  0.726160D+00  0.831603D+00  0.455735D+00 -0.806817D+00
                46            47            48            49            50 
      1  -0.237916D+01 -0.193073D+01  0.984106D+00 -0.106981D+01 -0.142253D+01
      2  -0.193073D+01 -0.141637D+01  0.876879D-01 -0.142253D+01  0.491529D+01
      3   0.984106D+00  0.876879D-01 -0.185881D+01  0.315606D+00  0.653410D+00
                51            52            53            54            55 
      1   0.315606D+00  0.119205D+01  0.320424D+00 -0.190375D+01 -0.203369D+01
      2   0.653410D+00  0.320424D+00  0.733707D+00 -0.609457D+00 -0.322280D+01
      3  -0.584749D+00 -0.190375D+01 -0.609457D+00 -0.409193D+01  0.313936D-02
                56            57            58            59            60 
      1  -0.322280D+01  0.313936D-02 -0.417973D+01 -0.260718D+01  0.305389D-01
      2  -0.281970D+01 -0.178791D+00 -0.260718D+01 -0.131075D+02  0.258085D-01
      3  -0.178791D+00 -0.297778D+00  0.305389D-01  0.258085D-01 -0.233425D+01
                61            62            63            64            65 
      1  -0.115524D+00  0.594935D-02 -0.103176D+01  0.424588D+00 -0.520220D+00
      2   0.594935D-02  0.186393D+00 -0.318312D+01 -0.520220D+00  0.467050D+00
      3  -0.103176D+01 -0.318312D+01  0.115288D+00 -0.100172D+01 -0.897094D-01
                66            67            68            69            70 
      1  -0.100172D+01 -0.818641D+00  0.347518D+00  0.741328D-01 -0.199926D+01
      2  -0.897094D-01  0.347518D+00  0.615752D+00 -0.102060D+01 -0.175249D+00
      3   0.915249D+00  0.741328D-01 -0.102060D+01 -0.246488D+00  0.694077D+00
                71            72            73            74            75 
      1  -0.175249D+00  0.694077D+00 -0.401455D+00  0.185222D+00  0.108876D+01
      2  -0.152407D+01  0.228848D+00  0.185222D+00 -0.286390D+00  0.118084D+00
      3   0.228848D+00 -0.821330D+01  0.108876D+01  0.118084D+00 -0.842700D+00
                76            77            78            79            80 
      1   0.578572D+00 -0.224562D+00  0.601764D-02  0.207726D+01 -0.210844D+00
      2  -0.224562D+00 -0.758522D+00  0.969354D+00 -0.210844D+00  0.135004D+01
      3   0.601764D-02  0.969354D+00  0.128341D+00 -0.311787D+00 -0.114472D+01
                81            82            83            84            85 
      1  -0.311787D+00 -0.809625D+00 -0.753237D+00 -0.551983D+00 -0.154113D+01
      2  -0.114472D+01 -0.753237D+00 -0.431402D+00  0.341307D-01 -0.588407D-01
      3   0.850950D+01 -0.551983D+00  0.341307D-01 -0.938159D-01 -0.528341D-01
                86            87            88            89            90 
      1  -0.588407D-01 -0.528341D-01 -0.114790D+01  0.901927D-01 -0.195378D+00
      2  -0.770048D+01 -0.108204D+01  0.901927D-01 -0.178173D+01 -0.133835D+01
      3  -0.108204D+01 -0.125128D+01 -0.195378D+00 -0.133835D+01 -0.113713D+00
                91            92            93            94            95 
      1   0.223225D+01  0.186283D+01 -0.137569D+00  0.454515D+01  0.186548D+00
      2   0.186283D+01  0.591970D+00  0.125768D+00  0.186548D+00  0.475711D+01
      3  -0.137569D+00  0.125768D+00 -0.363431D+00 -0.887230D-01  0.102905D+00
                96            97            98            99           100 
      1  -0.887230D-01 -0.294438D+00 -0.674855D-01 -0.593290D+00  0.272412D+00
      2   0.102905D+00 -0.674855D-01 -0.120928D+00  0.574870D+00  0.715371D+00
      3   0.889744D+00 -0.593290D+00  0.574870D+00  0.580316D-01  0.686297D+00
               101           102           103           104           105 
      1   0.715371D+00  0.686297D+00  0.571219D+00  0.309579D+00  0.396734D+00
      2   0.562960D+00  0.638519D+00  0.309579D+00  0.105585D+01  0.698318D+00
      3   0.638519D+00  0.105410D+01  0.396734D+00  0.698318D+00  0.687441D+00
               106           107           108           109           110 
      1   0.173291D+01  0.465437D+00  0.148067D+01  0.311947D+01  0.245333D+01
      2   0.465437D+00  0.236334D+01  0.184330D+01  0.245333D+01  0.309153D+01
      3   0.148067D+01  0.184330D+01  0.599502D+01 -0.104586D+01 -0.867219D+00
               111           112           113           114           115 
      1  -0.104586D+01  0.274593D+01  0.206045D+01 -0.714630D+00 -0.217920D+01
      2  -0.867219D+00  0.206045D+01  0.327611D+01 -0.842644D+00 -0.116225D+01
      3   0.137156D+01 -0.714630D+00 -0.842644D+00  0.104863D+01  0.123365D+01
               116           117           118           119           120 
      1  -0.116225D+01  0.123365D+01  0.742874D+01 -0.224114D+01  0.860025D+00
      2  -0.194489D+01  0.127075D+01 -0.224114D+01  0.190311D+01 -0.393087D+00
      3   0.127075D+01 -0.138925D+01  0.860025D+00 -0.393087D+00  0.123993D+01
               121           122           123           124           125 
      1  -0.412598D+01  0.232381D+01 -0.482453D+00  0.207830D+01 -0.652465D+00
      2   0.232381D+01 -0.185651D+01  0.503806D+00 -0.652465D+00  0.689906D+00
      3  -0.482453D+00  0.503806D+00 -0.828386D+00  0.118937D+01 -0.433260D+00
               126 
      1   0.118937D+01
      2  -0.433260D+00
      3   0.413287D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.112612D+01  0.405255D+00  0.234349D+01 -0.805362D+00  0.685085D+01
      2   0.197228D+01 -0.116477D+01 -0.131096D+00  0.547973D-01  0.448148D+00
      3   0.272550D+01  0.108231D+01  0.277235D+00  0.618472D+01 -0.599337D+01
                 6             7             8             9            10 
      1  -0.120923D+01  0.159264D+01  0.282934D+01 -0.663897D+01 -0.132291D+01
      2  -0.815920D+00 -0.160881D+01  0.953444D+00 -0.521456D+01  0.134923D+01
      3  -0.184929D+01 -0.233562D+01 -0.252815D+01 -0.250556D+01  0.103662D+01
                11            12            13            14            15 
      1   0.523823D+00 -0.610745D+00  0.737515D+00  0.226143D+00 -0.437227D+00
      2  -0.526857D+00  0.324190D+01  0.188083D+01 -0.169421D+01  0.105352D+01
      3  -0.517590D+01  0.537555D+00 -0.593172D+00  0.552804D+00  0.563655D+00
                16            17            18            19            20 
      1  -0.116810D+01  0.447544D+01  0.208091D+00  0.744279D+00  0.845704D+00
      2  -0.282490D+01  0.248873D+00  0.659197D+00 -0.432673D+01 -0.132595D+00
      3  -0.836009D+00  0.115111D+01  0.607011D+00 -0.553567D+01 -0.914812D-01
                21            22            23            24            25 
      1   0.170447D+00  0.176227D+01  0.123088D+00  0.910043D+01 -0.294476D+00
      2  -0.565010D+01 -0.705200D+00  0.134837D+01 -0.176077D+01 -0.176511D+02
      3  -0.131403D+00 -0.661439D+00  0.918976D+01 -0.156737D+01  0.192984D+01
                26            27            28            29            30 
      1   0.984365D+01  0.899420D-01 -0.770990D+00 -0.590397D+00  0.292712D+01
      2  -0.146186D+01  0.314604D+01  0.393694D+00  0.324647D+00  0.788597D+01
      3  -0.210714D+01  0.984091D+00 -0.567098D+01 -0.147535D+02 -0.286219D-01
                31            32            33            34            35 
      1  -0.236987D+00 -0.491150D+00 -0.403834D+01  0.735911D+00  0.206775D+01
      2   0.819876D+00 -0.273654D+00 -0.945628D+00  0.492012D+01 -0.104977D+01
      3  -0.104242D+02 -0.799447D+01  0.227224D+00  0.172086D+00  0.181085D+01
                36            37            38            39            40 
      1  -0.536698D+00 -0.517036D+00 -0.568583D+00 -0.163811D+01  0.951292D+00
      2  -0.206375D+01 -0.592550D+01  0.172524D+01  0.451726D+01  0.207490D+01
      3   0.182983D+01 -0.119652D+02 -0.320126D+01 -0.932306D+00  0.433325D+01
                41            42            43            44            45 
      1  -0.675640D+00 -0.174491D+01  0.794848D-01  0.312843D+01 -0.169871D+00
      2  -0.213868D+01  0.430495D+01 -0.377859D+01  0.166235D+01 -0.390550D+01
      3  -0.929035D+01  0.185394D+01 -0.819057D+00  0.391759D+01 -0.176837D+01
                46            47            48            49            50 
      1  -0.243536D+01 -0.103834D+01  0.463057D+01 -0.196109D+01 -0.338387D+01
      2   0.103767D+00  0.159175D+01  0.359470D+01  0.552975D+00  0.633457D+00
      3  -0.539137D+01 -0.108946D+02  0.153561D+01  0.211509D+01 -0.161681D+01
                51            52            53            54            55 
      1  -0.308284D+01  0.517639D+01  0.623226D+01  0.761613D+01  0.285428D+00
      2  -0.724231D+00 -0.351814D+01 -0.715437D+00  0.272072D+00  0.232432D+00
      3   0.774003D+00  0.305700D+01  0.981303D+00 -0.440484D+01 -0.209365D+00
                56            57            58            59            60 
      1   0.102691D+00 -0.284399D+01 -0.652906D-01  0.869836D+00 -0.107232D+02
      2   0.155523D+00  0.478683D+01 -0.892630D+00 -0.663238D+00  0.445811D+01
      3  -0.501324D+01 -0.208054D+00  0.101173D+02 -0.181487D+02  0.440007D+00
                61            62            63            64            65 
      1  -0.392053D+00  0.899358D+00  0.406609D+00  0.369089D+00 -0.727299D+00
      2   0.230573D+01  0.438113D+01 -0.112885D+01  0.802132D+00 -0.192694D+00
      3  -0.126433D+01  0.567859D+00 -0.440337D+01  0.323227D+00 -0.686802D+00
                66            67            68            69            70 
      1   0.131528D+00 -0.565562D+00 -0.605261D+00 -0.339067D+00  0.240120D+00
      2   0.659136D+00 -0.277295D+00  0.401498D+00 -0.483288D+00 -0.266409D+01
      3  -0.209429D+00  0.121199D+01 -0.226207D+00  0.220436D+00 -0.136155D+00
                71            72            73            74            75 
      1   0.292155D+01  0.971703D+00  0.105111D+01 -0.569509D+00 -0.399841D+00
      2  -0.105510D+00 -0.162181D+01  0.185794D+01  0.309923D+00 -0.397748D+00
      3   0.334424D+00  0.255848D+00  0.503816D+00 -0.776283D+00 -0.104157D+01
                76            77            78            79            80 
      1  -0.425225D+00  0.498976D+00 -0.415196D+00 -0.700018D+00  0.279324D+01
      2  -0.229721D+00  0.142972D+01 -0.968071D-01 -0.492235D+01 -0.974354D+00
      3   0.521007D+00  0.782436D+00 -0.941221D+00 -0.161791D+01 -0.117499D+01
                81            82            83            84            85 
      1   0.787490D+01 -0.102216D+01 -0.448235D-02 -0.395073D+00 -0.280913D+00
      2   0.877517D+01 -0.500389D+00  0.264629D+00  0.675675D+00 -0.329865D+00
      3   0.184784D+01  0.305429D+01  0.119567D+01  0.609696D+00  0.539770D+01
                86            87            88            89            90 
      1  -0.400251D+01 -0.418020D+01 -0.358277D+00 -0.128853D+01 -0.935073D+00
      2  -0.460639D+00 -0.936037D+00 -0.123740D+01 -0.101248D+01 -0.292871D+00
      3   0.898634D+01  0.157302D+01  0.202610D+01  0.194490D+01  0.172788D+01
                91            92            93            94            95 
      1   0.652438D+00  0.356989D+00  0.934546D+00  0.307941D+00  0.713371D+00
      2  -0.468639D+00 -0.574052D+00 -0.147070D+01 -0.388169D+00 -0.562672D+00
      3   0.814945D+01  0.924423D+01 -0.442258D-01  0.119978D+02  0.152657D+02
                96            97            98            99           100 
      1  -0.114408D+01  0.890666D+00  0.109256D+01  0.231732D+00 -0.111311D+01
      2  -0.224508D+01 -0.202323D+01 -0.168172D+01  0.808526D-01 -0.465415D+00
      3   0.359282D+00 -0.450835D+00 -0.883926D+00 -0.981723D-01  0.603626D+00
               101           102           103           104           105 
      1  -0.612447D+00 -0.258345D+01 -0.404738D+00 -0.169385D+01 -0.203719D+01
      2   0.143447D+00  0.455186D+00  0.125805D+00 -0.141578D+00  0.356703D+00
      3   0.639795D+00  0.802929D+00  0.172708D+01  0.485863D+00  0.593036D+00
               106           107           108           109           110 
      1  -0.380120D+01 -0.147709D+01 -0.121754D+02  0.232213D+01  0.189121D+01
      2  -0.213243D+01  0.608245D+00  0.813006D+00  0.585903D+00 -0.320961D+00
      3   0.349101D+01 -0.694862D-01  0.298085D+01  0.700180D+01  0.283577D+01
               111           112           113           114           115 
      1  -0.366730D+01  0.168361D+01  0.163870D+01 -0.239911D+01 -0.266899D+01
      2   0.109473D+01 -0.166950D+00 -0.732103D-01  0.887988D+00 -0.659638D+00
      3  -0.212273D+01  0.619888D+01  0.253116D+01 -0.131953D+01 -0.507712D+01
               116           117           118           119           120 
      1  -0.142051D+01  0.254862D+01  0.630980D+00 -0.146081D-01  0.100080D+01
      2   0.420399D+00 -0.758190D+00  0.404994D+01 -0.171995D+01  0.471479D+01
      3  -0.143974D+01  0.215992D+01  0.552374D+01 -0.681189D+01  0.107198D+01
               121           122           123           124           125 
      1  -0.358113D+00  0.480341D-01 -0.132641D+01  0.518374D+00  0.309705D+00
      2  -0.251935D+01  0.174668D+01 -0.305351D+01  0.257178D+01 -0.112384D+01
      3  -0.490303D+01  0.532641D+01 -0.126651D+01  0.186101D+01 -0.250461D+01
               126 
      1   0.391595D+00
      2   0.157850D+01
      3   0.787039D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.164432D+02 -0.420077D+00 -0.185009D+01 -0.784708D+01  0.119984D+02
      2   0.910165D+01 -0.241523D+01 -0.405573D+01  0.372809D+01 -0.165328D+02
      3   0.734156D+01  0.283531D+01  0.590582D+01  0.411899D+01  0.453441D+01
      4  -0.382143D+01  0.419279D+00 -0.208901D+01  0.734984D+01  0.577779D+01
      5   0.391597D+01 -0.222606D+01 -0.395407D+01  0.855595D+00  0.336736D+01
      6  -0.390424D+01  0.229722D+01 -0.302656D+01  0.103779D+01 -0.598789D+01
                 6             7             8             9            10 
      1   0.234095D+01  0.592105D+01  0.190325D+01  0.167906D+02 -0.162167D+01
      2  -0.557607D+01 -0.477913D+01 -0.431994D+01  0.202561D+01  0.436710D+01
      3   0.323512D+01 -0.114192D+01  0.241669D+01 -0.188163D+02 -0.274543D+01
      4   0.281608D+01  0.853869D-01  0.503679D+01  0.888945D+00  0.813614D+00
      5  -0.144206D+01  0.411097D+01  0.221994D+01 -0.136646D+02 -0.709078D+00
      6   0.127341D+01 -0.131505D+01 -0.820679D+00  0.792506D+01  0.150293D+01
                11            12            13            14            15 
      1   0.201858D+01 -0.940982D+00  0.179442D+01  0.437991D+01  0.573261D+00
      2  -0.170114D+01  0.728672D-01 -0.422529D+00 -0.826272D+01 -0.931940D+00
      3  -0.317442D+00  0.868115D+00 -0.137189D+01  0.388281D+01  0.358679D+00
      4   0.273623D+01  0.516553D+00 -0.658623D+01  0.131505D+00 -0.994348D+00
      5   0.806695D+00  0.131553D+01 -0.221099D+00 -0.486891D+00  0.137424D+01
      6  -0.186888D+01  0.206854D+00 -0.237722D+01  0.199462D-02 -0.344332D+01
                16            17            18            19            20 
      1  -0.526722D+01  0.121538D+01  0.552379D+01 -0.533474D+01  0.956081D+01
      2   0.425096D+00 -0.455972D+01  0.987449D+01  0.564252D+00 -0.100691D+02
      3   0.484213D+01  0.334434D+01 -0.153983D+02  0.477049D+01  0.508340D+00
      4  -0.238254D+01 -0.111246D+01  0.464860D+00  0.361524D+01 -0.119589D+02
      5  -0.136236D+01 -0.689407D+00  0.754350D+01 -0.308324D+00 -0.141864D+01
      6   0.121700D+00  0.125170D+01  0.106671D+01 -0.540758D+00 -0.462666D-01
                21            22            23            24            25 
      1  -0.853094D+00  0.425693D+00  0.692206D+01 -0.812849D-01  0.181736D+01
      2  -0.176414D+01 -0.445786D+01 -0.182351D+02  0.782064D+00 -0.201729D+01
      3   0.261723D+01  0.403216D+01  0.113130D+02 -0.700779D+00  0.199932D+00
      4  -0.740523D+00 -0.227377D+02 -0.227302D+02  0.410843D+00 -0.486357D+00
      5  -0.686169D+01 -0.161370D+01 -0.483711D+00 -0.106949D+01  0.200124D+01
      6   0.165020D+01 -0.451569D+00 -0.101512D+01 -0.140015D+02 -0.416054D+00
                26            27            28            29            30 
      1  -0.215207D+01 -0.516775D+01  0.424982D+02 -0.810605D+01 -0.416448D+00
      2   0.143203D+01 -0.643291D+01 -0.260279D+02  0.213249D+01  0.109270D+01
      3   0.720040D+00  0.116007D+02 -0.164703D+02  0.597356D+01 -0.676249D+00
      4   0.255361D+01 -0.218074D+01 -0.199603D+02  0.174956D+02  0.906268D+00
      5  -0.158753D+01  0.304112D+01 -0.160338D+01  0.425526D+00  0.146835D+02
      6   0.369279D+01 -0.552318D-01  0.571882D+00 -0.350453D+00 -0.491762D+01
                31            32            33            34            35 
      1   0.429085D+01  0.924577D+01 -0.714895D+00 -0.122776D+01  0.484713D+00
      2  -0.601928D+01 -0.239086D+01  0.122304D+00  0.171593D+01  0.187110D+00
      3   0.172843D+01 -0.685491D+01  0.592591D+00 -0.488166D+00 -0.671823D+00
      4   0.167339D+02 -0.511988D+01 -0.118786D+01  0.149792D+01 -0.140099D+01
      5  -0.670660D+00 -0.137160D+01 -0.355842D+01  0.137146D+02 -0.589496D+01
      6  -0.843591D+00  0.655682D+00  0.820389D+01 -0.191572D+01  0.535357D+01
                36            37            38            39            40 
      1   0.532348D+01  0.139010D+02  0.146108D+02 -0.607019D+01  0.308139D+02
      2  -0.790535D+01 -0.104764D+02 -0.626418D+01  0.599402D+01 -0.161984D+02
      3   0.258188D+01 -0.342456D+01 -0.834658D+01  0.761733D-01 -0.146155D+02
      4  -0.544385D+01  0.173858D+02  0.272567D+01  0.393752D+01 -0.296266D+01
      5  -0.382545D+01 -0.105029D+02  0.370105D+01  0.934722D+01  0.352929D+01
      6   0.113836D+01  0.214158D+01 -0.925490D+00  0.974016D+00 -0.902604D+00
                41            42            43            44            45 
      1  -0.558395D+01  0.286440D+01 -0.178068D+02  0.315628D+01 -0.429177D+00
      2   0.538820D+01  0.239705D+00  0.962618D+01 -0.118811D+01 -0.576821D+01
      3   0.195747D+00 -0.310411D+01  0.818062D+01 -0.196817D+01  0.619739D+01
      4   0.145791D+02 -0.538408D+01  0.617185D+01 -0.714498D+01  0.239538D+01
      5  -0.467743D+01  0.649727D+01  0.901026D+01  0.312029D+01 -0.763009D+01
      6   0.143881D+01  0.328237D+01 -0.609746D+00  0.324095D+01  0.111195D+01
                46            47            48            49            50 
      1   0.125832D+02  0.299303D+00  0.149837D+01  0.139523D+01 -0.172752D+02
      2  -0.119676D+02 -0.426891D+01  0.157571D+01 -0.508174D+01  0.269789D+02
      3  -0.615630D+00  0.396960D+01 -0.307408D+01  0.368651D+01 -0.970369D+01
      4  -0.885595D+01 -0.471612D+01  0.310746D+01  0.101656D+01 -0.488440D+01
      5   0.180830D+01  0.131068D+01  0.119726D+01  0.864795D+00  0.563060D+00
      6   0.449972D+01  0.253319D+01 -0.797028D+01  0.290497D+01  0.467539D+01
                51            52            53            54            55 
      1  -0.944470D+00 -0.636329D-01  0.243207D+00  0.244987D+00  0.104310D+02
      2   0.363306D+01  0.281390D+01  0.462285D+01  0.677457D+00 -0.131475D+01
      3  -0.268859D+01 -0.275026D+01 -0.486606D+01 -0.922443D+00 -0.911627D+01
      4   0.164236D+01  0.433553D+01  0.223793D+01 -0.800062D+01  0.171159D+02
      5  -0.204802D+01  0.128777D+01 -0.301260D+01 -0.375416D+01  0.894651D+00
      6   0.355846D+01 -0.908759D+01 -0.896379D-01 -0.121047D+02  0.510230D+00
                56            57            58            59            60 
      1   0.510390D+01 -0.422755D+00  0.832368D+01 -0.218065D+02 -0.280742D+00
      2   0.322130D+01  0.563259D+00  0.253177D+01  0.419688D+02 -0.298586D+00
      3  -0.832520D+01 -0.140504D+00 -0.108555D+02 -0.201622D+02  0.579328D+00
      4   0.221442D+02  0.584127D+00  0.248019D+02  0.462180D+02  0.652829D+00
      5   0.910894D+00  0.732646D+01  0.968098D+00  0.150859D+01  0.852197D+01
      6   0.677427D+00  0.385554D+01  0.867286D+00  0.781767D+00  0.170457D+02
                61            62            63            64            65 
      1   0.926684D-02  0.353577D+00 -0.373987D+01  0.119753D+01 -0.181278D+00
      2   0.662773D+00 -0.853634D+00  0.278496D+01 -0.370008D+01  0.135328D+00
      3  -0.672040D+00  0.500056D+00  0.954919D+00  0.250255D+01  0.459497D-01
      4  -0.167449D+00 -0.769176D+00  0.110343D+02 -0.441750D+00  0.137632D+01
      5   0.882640D+01  0.111445D+02 -0.418770D+00 -0.158474D+01 -0.388161D+00
      6   0.374212D+01  0.140926D+02 -0.169061D+00 -0.538082D+00  0.377044D+00
                66            67            68            69            70 
      1   0.174332D-01 -0.826363D-01 -0.382113D+01  0.193718D-01  0.809188D+00
      2   0.134808D+01  0.775674D+00  0.541831D+00 -0.818764D+00  0.239954D+01
      3  -0.136552D+01 -0.693038D+00  0.327930D+01  0.799392D+00 -0.320873D+01
      4  -0.560229D+00  0.256967D+01 -0.154990D+00 -0.517555D+00  0.758611D+00
      5   0.617340D+01  0.169804D+00 -0.793242D+00 -0.713031D+00  0.523533D+01
      6   0.244845D+00 -0.965233D-01  0.171468D+00  0.633249D+01  0.238771D+00
                71            72            73            74            75 
      1   0.142401D+01 -0.162899D+02 -0.583328D+00  0.350144D+00  0.486690D+01
      2  -0.551771D+00 -0.151945D+02 -0.256628D+01 -0.122528D+00 -0.960826D+00
      3  -0.872237D+00  0.314843D+02  0.314961D+01 -0.227615D+00 -0.390608D+01
      4  -0.580666D+00 -0.241559D+00  0.620808D+00  0.948742D+00 -0.132243D+01
      5   0.388952D+00 -0.685734D+01  0.164564D+01 -0.262861D+00  0.421533D+01
      6   0.437322D+01 -0.278472D+01 -0.123308D+01 -0.858944D+00  0.719475D+00
                76            77            78            79            80 
      1   0.137242D+01 -0.516735D+01  0.126340D+01  0.689781D+01  0.283068D+01
      2  -0.755518D+00  0.278141D+01 -0.122025D+01 -0.234168D+01 -0.499347D+00
      3  -0.616905D+00  0.238594D+01 -0.431523D-01 -0.455613D+01 -0.233133D+01
      4   0.193212D+00 -0.123162D+01  0.230525D+01 -0.280124D+01  0.259092D+01
      5  -0.930794D-01  0.206392D+01  0.392290D+00  0.433301D+01 -0.310060D+01
      6  -0.378178D-01 -0.135094D+01  0.559535D+01  0.211370D+00  0.675520D+01
                81            82            83            84            85 
      1  -0.214646D+02 -0.855657D+00 -0.343160D+01 -0.163179D+01 -0.482001D+01
      2  -0.104878D+02  0.303880D+01  0.258509D+01  0.114846D+01  0.313720D+01
      3   0.319525D+02 -0.218314D+01  0.846507D+00  0.483329D+00  0.168281D+01
      4  -0.144113D+01 -0.971337D+00  0.339772D+01  0.118511D+01  0.506231D+01
      5   0.177724D+02 -0.101022D+01  0.438876D+00  0.112736D+01 -0.864800D-01
      6  -0.125650D+02  0.141366D+01  0.133549D+00  0.345899D+00  0.272582D+00
                86            87            88            89            90 
      1  -0.180730D+02 -0.218832D+01 -0.311452D+01 -0.362801D+01 -0.573085D+01
      2   0.303556D+02  0.447188D+01  0.221782D+01  0.552363D+01  0.308107D+01
      3  -0.122826D+02 -0.228356D+01  0.896698D+00 -0.189562D+01  0.264978D+01
      4  -0.166449D+02 -0.191997D+01  0.150799D+01 -0.416036D+01 -0.255171D+01
      5  -0.238850D+01 -0.240720D+01  0.468431D+00 -0.312500D+01 -0.591072D+00
      6   0.335396D+01  0.544401D+01  0.257963D+00  0.630922D+01  0.236777D+01
                91            92            93            94            95 
      1  -0.113621D+02 -0.221572D+01 -0.328557D-01 -0.127910D+02 -0.640992D+01
      2   0.970628D+01 -0.445244D+00  0.189301D+00  0.704995D+01  0.102275D+02
      3   0.165578D+01  0.266096D+01 -0.156445D+00  0.574106D+01 -0.381762D+01
      4  -0.672165D+00 -0.336347D+00 -0.374385D+00  0.709942D+01 -0.158877D+02
      5   0.777946D+00  0.421018D+00 -0.177842D+01  0.105870D+01  0.314861D+00
      6  -0.172421D+00  0.927470D-01 -0.197974D+01  0.270118D-01  0.397261D+00
                96            97            98            99           100 
      1   0.193170D+00  0.915037D+00  0.132296D+00 -0.107044D+01 -0.697504D+00
      2  -0.191711D+00 -0.597376D+00 -0.256631D+00  0.238094D+00  0.718874D+00
      3  -0.145854D-02 -0.317660D+00  0.124335D+00  0.832348D+00 -0.213698D-01
      4  -0.286878D+00 -0.287689D+00  0.133039D+00 -0.239198D+01  0.205164D+01
      5  -0.400232D+01  0.224724D+01 -0.218720D+01  0.568499D-01  0.219162D+01
      6   0.172419D+01 -0.143300D+01  0.259603D+01 -0.112966D+00  0.218085D+01
               101           102           103           104           105 
      1  -0.921937D+00 -0.856252D+00 -0.664323D-01 -0.307516D+01 -0.149910D+01
      2   0.157688D+01  0.287242D+00  0.467380D+00  0.363836D+01  0.218082D+01
      3  -0.654940D+00  0.569010D+00 -0.400947D+00 -0.563205D+00 -0.681714D+00
      4   0.395204D+01  0.244756D+01  0.359497D+01  0.210687D+01  0.212575D+01
      5   0.135874D+01  0.376549D+01  0.646391D+00  0.141381D+01  0.130997D+01
      6   0.286390D+01  0.470807D+01  0.215181D+01  0.288599D+01  0.576268D+01
               106           107           108           109           110 
      1   0.796504D-01 -0.551638D+01 -0.860647D+01  0.104429D+01 -0.340531D+01
      2  -0.128475D+01  0.459553D+01 -0.333949D+01  0.522846D+01  0.101543D+02
      3   0.120510D+01  0.920858D+00  0.119460D+02 -0.627275D+01 -0.674901D+01
      4   0.497169D+01  0.411234D+01  0.544666D+01  0.129773D+02  0.134932D+02
      5   0.414656D+01  0.276999D+01  0.727235D+01 -0.343266D+01 -0.262001D+01
      6   0.577214D+01  0.880408D+01  0.210306D+02 -0.564163D+01 -0.539442D+01
               111           112           113           114           115 
      1   0.159800D+00 -0.156132D+01 -0.518739D+01  0.123058D+01  0.797849D+00
      2  -0.245988D+01  0.662735D+01  0.123761D+02 -0.358049D+01 -0.257092D+01
      3   0.230008D+01 -0.506603D+01 -0.718869D+01  0.234991D+01  0.177307D+01
      4  -0.491916D+01  0.119965D+02  0.106003D+02 -0.378625D+01 -0.727171D+01
      5   0.389490D+01 -0.116522D+01 -0.236767D+01  0.163384D+01  0.384387D+01
      6   0.618474D+01 -0.417607D+01 -0.532054D+01  0.510259D+01  0.595566D+01
               116           117           118           119           120 
      1   0.306375D+01 -0.244353D+01  0.438367D+02 -0.136603D+02  0.562669D+01
      2  -0.534481D+01  0.198531D+01 -0.209693D+02  0.568035D+01 -0.257844D+01
      3   0.228106D+01  0.458215D+00 -0.228674D+02  0.797995D+01 -0.304826D+01
      4  -0.597679D+01  0.553372D+01 -0.201564D+02  0.131360D+02 -0.291225D+01
      5   0.295689D+01 -0.314950D+01  0.723824D+01 -0.269115D+01  0.750109D+01
      6   0.726709D+01 -0.614508D+01 -0.790641D+00  0.469374D+00 -0.995440D+00
               121           122           123           124           125 
      1  -0.210483D+02  0.106444D+02 -0.262072D+01  0.106854D+02 -0.335507D+01
      2   0.821913D+01 -0.241712D+01  0.876777D+00 -0.581746D+01  0.136843D+01
      3   0.128292D+02 -0.822727D+01  0.174394D+01 -0.486791D+01  0.198664D+01
      4   0.183136D+02 -0.130589D+02  0.344488D+01 -0.593199D+01  0.448079D+01
      5  -0.424244D+01  0.333744D+01 -0.448905D+01  0.858202D+01 -0.330238D+01
      6   0.945002D+00 -0.921230D+00  0.207312D+01 -0.182165D+01  0.198741D+01
               126 
      1   0.509072D+01
      2  -0.350768D+01
      3  -0.158304D+01
      4  -0.351232D+01
      5   0.352579D+01
      6  -0.937101D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:26:47 2021, MaxMem=  5637144576 cpu:            3923.2 elap:             491.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.99011 -18.97459 -18.93776 -14.20122 -10.20634
 Alpha  occ. eigenvalues --  -10.13697 -10.13496  -1.22489  -1.16451  -1.14000
 Alpha  occ. eigenvalues --   -1.04946  -0.89094  -0.78784  -0.72317  -0.69401
 Alpha  occ. eigenvalues --   -0.64981  -0.61777  -0.60672  -0.58470  -0.57284
 Alpha  occ. eigenvalues --   -0.55352  -0.51087  -0.49293  -0.47532  -0.43234
 Alpha  occ. eigenvalues --   -0.41904  -0.40873  -0.37648
 Alpha virt. eigenvalues --    0.02153   0.03584   0.04087   0.05056   0.06439
 Alpha virt. eigenvalues --    0.07002   0.07129   0.08927   0.10238   0.11337
 Alpha virt. eigenvalues --    0.12143   0.12405   0.12967   0.14825   0.14878
 Alpha virt. eigenvalues --    0.15046   0.15702   0.16275   0.17464   0.18861
 Alpha virt. eigenvalues --    0.18919   0.20202   0.20606   0.21476   0.23333
 Alpha virt. eigenvalues --    0.24188   0.25407   0.25748   0.27042   0.27693
 Alpha virt. eigenvalues --    0.28138   0.28639   0.29754   0.30546   0.31365
 Alpha virt. eigenvalues --    0.31795   0.32466   0.32834   0.33104   0.35278
 Alpha virt. eigenvalues --    0.35820   0.37835   0.38115   0.39060   0.39883
 Alpha virt. eigenvalues --    0.41017   0.41195   0.43303   0.43544   0.44189
 Alpha virt. eigenvalues --    0.46043   0.46566   0.47060   0.47949   0.49341
 Alpha virt. eigenvalues --    0.51084   0.51941   0.52800   0.53434   0.55085
 Alpha virt. eigenvalues --    0.56158   0.57235   0.59001   0.59311   0.60764
 Alpha virt. eigenvalues --    0.61414   0.63669   0.64141   0.65711   0.65905
 Alpha virt. eigenvalues --    0.67343   0.67710   0.69237   0.70358   0.72038
 Alpha virt. eigenvalues --    0.72808   0.74322   0.74978   0.75987   0.78659
 Alpha virt. eigenvalues --    0.80833   0.81522   0.81958   0.84582   0.85008
 Alpha virt. eigenvalues --    0.87045   0.87608   0.89712   0.92245   0.93595
 Alpha virt. eigenvalues --    0.94524   0.96166   0.98956   1.00361   1.02744
 Alpha virt. eigenvalues --    1.03802   1.05973   1.07500   1.09000   1.11144
 Alpha virt. eigenvalues --    1.11562   1.13900   1.15538   1.17364   1.17949
 Alpha virt. eigenvalues --    1.19304   1.22951   1.23233   1.25895   1.28223
 Alpha virt. eigenvalues --    1.28986   1.33767   1.35371   1.37372   1.38519
 Alpha virt. eigenvalues --    1.41240   1.43894   1.46232   1.48435   1.50228
 Alpha virt. eigenvalues --    1.54255   1.57981   1.59428   1.62043   1.64456
 Alpha virt. eigenvalues --    1.65839   1.67163   1.69216   1.72742   1.73596
 Alpha virt. eigenvalues --    1.75197   1.80776   1.83336   1.85617   1.86619
 Alpha virt. eigenvalues --    1.89674   1.92558   1.92947   1.96325   1.97414
 Alpha virt. eigenvalues --    1.98316   2.00147   2.02174   2.05965   2.09536
 Alpha virt. eigenvalues --    2.11573   2.13893   2.18247   2.19538   2.20327
 Alpha virt. eigenvalues --    2.21591   2.25218   2.27837   2.28497   2.30682
 Alpha virt. eigenvalues --    2.31593   2.35902   2.36704   2.39970   2.45780
 Alpha virt. eigenvalues --    2.46136   2.49713   2.56181   2.57598   2.61588
 Alpha virt. eigenvalues --    2.64044   2.64727   2.70797   2.73888   2.76630
 Alpha virt. eigenvalues --    2.81498   2.83206   2.89856   2.93450   2.97630
 Alpha virt. eigenvalues --    3.07329   3.12123   3.23342   3.28061   3.36278
 Alpha virt. eigenvalues --    3.42160   3.45071   3.45625   3.48160   3.48942
 Alpha virt. eigenvalues --    3.49148   3.51853   3.52630   3.55668   3.57600
 Alpha virt. eigenvalues --    3.65067   3.68793   3.79372   3.88770   4.05020
 Alpha virt. eigenvalues --    4.05339
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.558639   0.458560  -0.171797  -0.022020   0.071568  -0.078337
     2  C    0.458560   6.169317  -0.807439   0.219052   0.022188   0.149146
     3  C   -0.171797  -0.807439   6.484670  -0.199606  -0.022431  -0.023598
     4  O   -0.022020   0.219052  -0.199606   8.290504  -0.001640  -0.076604
     5  O    0.071568   0.022188  -0.022431  -0.001640   8.217325  -0.022938
     6  N   -0.078337   0.149146  -0.023598  -0.076604  -0.022938   6.561243
     7  O   -0.006163   0.031578   0.250211  -0.082861   0.000376  -0.010416
     8  H   -0.098779   0.143816  -0.140068   0.018236  -0.020107  -0.059199
     9  H    0.227995  -0.184614   0.023336  -0.005581  -0.084081  -0.061781
    10  H    0.031292   0.006135  -0.061155   0.005605  -0.039323   0.018239
    11  H    0.006680  -0.132969  -0.016851   0.243405  -0.002198   0.065749
    12  H   -0.087426  -0.106800   0.035906  -0.002859  -0.005517   0.410582
    13  H    0.010812   0.015526  -0.015076   0.004366  -0.003899   0.314744
    14  H   -0.041291   0.039517   0.000686  -0.000206   0.337388   0.003207
               7          8          9         10         11         12
     1  C   -0.006163  -0.098779   0.227995   0.031292   0.006680  -0.087426
     2  C    0.031578   0.143816  -0.184614   0.006135  -0.132969  -0.106800
     3  C    0.250211  -0.140068   0.023336  -0.061155  -0.016851   0.035906
     4  O   -0.082861   0.018236  -0.005581   0.005605   0.243405  -0.002859
     5  O    0.000376  -0.020107  -0.084081  -0.039323  -0.002198  -0.005517
     6  N   -0.010416  -0.059199  -0.061781   0.018239   0.065749   0.410582
     7  O    8.252939   0.010531   0.006745   0.003278   0.014399   0.001048
     8  H    0.010531   1.362253   0.081055  -0.059664  -0.006528   0.023514
     9  H    0.006745   0.081055   1.401421  -0.136474  -0.002993   0.013900
    10  H    0.003278  -0.059664  -0.136474   1.579757   0.000019   0.006626
    11  H    0.014399  -0.006528  -0.002993   0.000019   0.629993  -0.002569
    12  H    0.001048   0.023514   0.013900   0.006626  -0.002569   0.811456
    13  H    0.001169  -0.081627  -0.008474  -0.001436   0.000962  -0.127827
    14  H   -0.000476  -0.002186  -0.035349  -0.057078   0.000269  -0.002965
              13         14
     1  C    0.010812  -0.041291
     2  C    0.015526   0.039517
     3  C   -0.015076   0.000686
     4  O    0.004366  -0.000206
     5  O   -0.003899   0.337388
     6  N    0.314744   0.003207
     7  O    0.001169  -0.000476
     8  H   -0.081627  -0.002186
     9  H   -0.008474  -0.035349
    10  H   -0.001436  -0.057078
    11  H    0.000962   0.000269
    12  H   -0.127827  -0.002965
    13  H    0.834247   0.001344
    14  H    0.001344   0.627269
 Mulliken charges:
               1
     1  C    1.140268
     2  C   -0.023012
     3  C    0.663214
     4  O   -0.389791
     5  O   -0.446712
     6  N   -0.190039
     7  O   -0.472359
     8  H   -0.171249
     9  H   -0.235105
    10  H   -0.295820
    11  H    0.202633
    12  H    0.032931
    13  H    0.055170
    14  H    0.129871
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.609342
     2  C   -0.194261
     3  C    0.663214
     4  O   -0.187158
     5  O   -0.316841
     6  N   -0.101938
     7  O   -0.472359
 Electronic spatial extent (au):  <R**2>=            824.9242
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              4.0722    Y=              1.9834    Z=              0.6456  Tot=              4.5753
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -46.4089   YY=            -42.2332   ZZ=            -39.4598
   XY=             -6.3815   XZ=              2.7258   YZ=             -0.1088
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.7082   YY=              0.4674   ZZ=              3.2408
   XY=             -6.3815   XZ=              2.7258   YZ=             -0.1088
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             33.4428  YYY=             12.1016  ZZZ=              0.9161  XYY=             14.3299
  XXY=             -5.4815  XXZ=              5.1815  XZZ=              0.5223  YZZ=              2.5325
  YYZ=              0.9337  XYZ=             -1.9743
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -607.3628 YYYY=           -292.6124 ZZZZ=            -62.9437 XXXY=            -52.3113
 XXXZ=             20.8355 YYYX=            -10.3995 YYYZ=              1.5700 ZZZX=              1.7992
 ZZZY=              2.2867 XXYY=           -143.9831 XXZZ=           -121.0175 YYZZ=            -55.9615
 XXYZ=             -5.6081 YYXZ=             -1.4798 ZZXY=              2.4436
 N-N= 3.225377908605D+02 E-N=-1.579490836276D+03  KE= 3.958688502182D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:26:48 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.59951754D+00 7.94022650D-01 2.48180091D-01
 Polarizability= 6.09590844D+01-3.50372554D-01 5.94450683D+01
                -5.67215220D-01-3.40345930D-01 4.34226324D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3394    0.3395       -0.1495   -0.1495
 2     -0.3394   -0.3395        0.1167    0.1167       -0.8159   -0.8159
 3      0.1495    0.1495        9.2465    9.2460       -0.1167   -0.1167
 4     -0.1167   -0.1167       -0.0000    0.0000        0.1495    0.1495
 5     -8.4306   -8.4301       -0.1495   -0.1495        0.3393    0.3395
 6      0.1167    0.1167       -0.3393   -0.3395        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0184   -1.0184       -0.4486   -0.4486
 2     -0.3501   -0.3501       -0.0000    0.0000       -0.4486   -0.4486
 3     -0.3501   -0.3501       -1.0184   -1.0184        0.0000    0.0000
 4     -1.0184   -1.0184        0.3501    0.3501       -2.4476   -2.4476
 5      0.4486    0.4486       27.7379   27.7379       -0.3501   -0.3501
 6    -25.2903  -25.2903       -0.4486   -0.4486        1.0184    1.0184
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0080    0.0000       -1.3709   -1.3579        0.5955    0.5982
 2      1.3636    1.3579       -0.4685   -0.4668        3.2000    3.2635
 3     -0.5950   -0.5982      -36.9752  -36.9838        0.4695    0.4668
 4      0.4647    0.4668       -0.0036    0.0000       -0.6112   -0.5982
 5     33.7194   33.7203        0.5939    0.5982       -1.3548   -1.3579
 6     -0.4651   -0.4668        1.3516    1.3579        0.0009    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0018    0.0000        4.2599    4.2526       -0.4770   -0.4822
 2     -4.2579   -4.2526       16.2962   16.2859        0.4133    0.4105
 3      0.4809    0.4822        5.0954    5.0818      -16.2355  -16.2859
 4    -16.2886  -16.2859       -0.0158    0.0000        0.4877    0.4822
 5     -5.4599   -5.4923       -0.4811   -0.4822        4.2296    4.2526
 6     16.2842   16.2859       -4.2453   -4.2526       -0.0125    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.5011   -9.4989        5.2408    5.2504        1.0024    1.0064
 2    -34.2436  -34.2410        5.5269    5.5423        1.0188    1.0064
 3    -34.2373  -34.2410        5.2357    5.2504        1.0502    1.0387
 4     -0.2986   -0.2918       24.7594   24.7421       -0.8718   -0.8685
 5      0.0352    0.0323       10.9873   10.9740      -24.7525  -24.7421
 6    -10.0622  -10.1055       -0.0352   -0.0323        0.2475    0.2918
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.1714   -0.0004    0.0003    0.0009    1.8975    3.7422
 Low frequencies ---   68.2486  116.9717  200.2556
 Diagonal vibrational polarizability:
       31.4846613      37.2093199      65.9170475
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     68.2485               116.9716               200.2556
 Red. masses --      4.4028                 3.3953                 4.3737
 Frc consts  --      0.0121                 0.0274                 0.1033
 IR Inten    --      1.4082                11.8872                23.7884
 RamAct Fr= 1--      0.4012                 0.1149                 0.5857
  Dep-P Fr= 1--      0.7412                 0.6857                 0.7268
  Dep-U Fr= 1--      0.8514                 0.8136                 0.8418
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0002
 Beta2  Fr= 1--      0.0569                 0.0156                 0.0822
 AlphaG Fr= 1--     -0.0008                -0.0003                 0.0008
 Gamma2 Fr= 1--      0.1680                 0.2218                 0.1210
 Delta2 Fr= 1--      0.1388                 0.1581                 0.0005
 Raman1 Fr= 1--       1.605                  0.460                  2.343
 ROA1   Fr= 1--      20.566                 26.354                 11.629
 CID1   Fr= 1--      12.816                 57.336                  4.964
 Raman2 Fr= 1--       0.683                  0.187                  0.986
 ROA2   Fr= 1--       2.921                  4.059                  2.900
 CID2   Fr= 1--       4.276                 21.710                  2.941
 Raman3 Fr= 1--       1.366                  0.374                  1.972
 ROA3   Fr= 1--      20.566                 26.354                 11.629
 CID3   Fr= 1--      15.053                 70.474                  5.897
 RC180  Fr= 1--       0.703                  0.627                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.09    -0.01  -0.12  -0.21    -0.14  -0.01  -0.14
     2   6    -0.00  -0.02  -0.07    -0.02  -0.06  -0.12    -0.01   0.17  -0.12
     3   6    -0.00  -0.01  -0.02    -0.02   0.00   0.01     0.06   0.05  -0.02
     4   8     0.06  -0.02   0.31     0.03   0.04   0.04    -0.07  -0.09   0.05
     5   8    -0.00  -0.01   0.12    -0.01   0.19   0.20     0.01  -0.21   0.13
     6   7     0.00   0.02  -0.22     0.07  -0.08  -0.05    -0.06   0.14  -0.02
     7   8    -0.03  -0.01  -0.23    -0.05   0.01   0.10     0.25   0.01   0.09
     8   1     0.03  -0.17  -0.06    -0.11   0.00  -0.13    -0.04   0.24  -0.12
     9   1    -0.10   0.18   0.09    -0.21  -0.49  -0.23    -0.29  -0.15  -0.15
    10   1    -0.02   0.01   0.20     0.19  -0.03  -0.56    -0.28   0.07  -0.28
    11   1     0.09  -0.03   0.30     0.06   0.02  -0.01    -0.21  -0.01   0.01
    12   1     0.30   0.14  -0.31     0.06  -0.16  -0.04    -0.04   0.10  -0.02
    13   1    -0.22   0.05  -0.48     0.14  -0.13  -0.00    -0.10   0.22  -0.01
    14   1    -0.03   0.01   0.22     0.01   0.17   0.11    -0.18  -0.49  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    244.2219               284.8145               321.5384
 Red. masses --      1.1023                 1.1525                 4.5292
 Frc consts  --      0.0387                 0.0551                 0.2759
 IR Inten    --    112.0380                22.5138                 3.2192
 RamAct Fr= 1--      1.0490                 0.3996                 0.1933
  Dep-P Fr= 1--      0.7383                 0.6826                 0.5314
  Dep-U Fr= 1--      0.8494                 0.8114                 0.6940
 Alpha2 Fr= 1--      0.0002                 0.0005                 0.0008
 Beta2  Fr= 1--      0.1485                 0.0540                 0.0224
 AlphaG Fr= 1--     -0.0018                 0.0020                -0.0022
 Gamma2 Fr= 1--     -0.0722                -0.0311                 0.0174
 Delta2 Fr= 1--      0.0335                 0.0066                 0.0041
 Raman1 Fr= 1--       4.196                  1.598                  0.773
 ROA1   Fr= 1--      -5.863                 -2.776                  1.804
 CID1   Fr= 1--      -1.397                 -1.737                  2.333
 Raman2 Fr= 1--       1.782                  0.648                  0.268
 ROA2   Fr= 1--      -2.002                 -0.799                  0.385
 CID2   Fr= 1--      -1.123                 -1.233                  1.434
 Raman3 Fr= 1--       3.564                  1.297                  0.537
 ROA3   Fr= 1--      -5.863                 -2.776                  1.804
 CID3   Fr= 1--      -1.645                 -2.141                  3.362
 RC180  Fr= 1--       0.699                  0.623                  0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02     0.01  -0.01  -0.03    -0.11  -0.05   0.07
     2   6     0.00   0.01  -0.02    -0.00   0.01   0.02    -0.03   0.01   0.08
     3   6     0.01   0.01  -0.01    -0.01  -0.01   0.01     0.01   0.04   0.03
     4   8     0.00  -0.00   0.02    -0.00   0.00  -0.06    -0.15  -0.08  -0.02
     5   8    -0.01  -0.04  -0.05     0.02  -0.01  -0.00    -0.22   0.09  -0.05
     6   7    -0.00   0.00   0.01    -0.00   0.00   0.06     0.33   0.00  -0.02
     7   8     0.02   0.00   0.01    -0.01  -0.01   0.02     0.16   0.01  -0.05
     8   1     0.00   0.03  -0.02    -0.04   0.03   0.02    -0.04  -0.08   0.08
     9   1    -0.02   0.02  -0.02     0.01  -0.06  -0.03    -0.05  -0.04   0.08
    10   1    -0.03  -0.02   0.00    -0.01   0.01  -0.06    -0.08  -0.05   0.08
    11   1    -0.01   0.00  -0.01     0.08  -0.02   0.16    -0.32  -0.01   0.05
    12   1    -0.10  -0.03   0.04     0.65   0.02  -0.12     0.53   0.00  -0.07
    13   1     0.07  -0.01   0.09    -0.51   0.22  -0.41     0.40  -0.25  -0.16
    14   1     0.05   0.49   0.85     0.01   0.07   0.15    -0.09   0.21  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    371.7136               428.1816               526.8821
 Red. masses --      4.4960                 2.8297                 5.8886
 Frc consts  --      0.3660                 0.3057                 0.9631
 IR Inten    --     11.1481                 9.8348                 0.7164
 RamAct Fr= 1--      2.6484                 0.3942                 3.0821
  Dep-P Fr= 1--      0.1475                 0.4466                 0.7217
  Dep-U Fr= 1--      0.2571                 0.6175                 0.8383
 Alpha2 Fr= 1--      0.0412                 0.0024                 0.0015
 Beta2  Fr= 1--      0.1135                 0.0406                 0.4306
 AlphaG Fr= 1--      0.0096                -0.0043                -0.0076
 Gamma2 Fr= 1--     -0.2214                -0.3077                 0.0539
 Delta2 Fr= 1--     -0.1305                -0.1623                 0.0841
 Raman1 Fr= 1--      10.594                  1.577                 12.328
 ROA1   Fr= 1--     -25.435                -34.734                  7.867
 CID1   Fr= 1--      -2.401                -22.028                  0.638
 Raman2 Fr= 1--       1.362                  0.487                  5.168
 ROA2   Fr= 1--      -4.271                 -6.086                  0.621
 CID2   Fr= 1--      -3.135                -12.502                  0.120
 Raman3 Fr= 1--       2.724                  0.974                 10.335
 ROA3   Fr= 1--     -25.435                -34.734                  7.867
 CID3   Fr= 1--      -9.337                -35.674                  0.761
 RC180  Fr= 1--      -0.486                  0.235                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.03   0.07     0.00  -0.17   0.01     0.11  -0.12   0.07
     2   6    -0.00  -0.05  -0.14     0.00  -0.02   0.21    -0.01  -0.16  -0.07
     3   6     0.08  -0.02  -0.11     0.05   0.02   0.09    -0.04   0.21  -0.05
     4   8     0.26   0.09  -0.00     0.09   0.06  -0.03    -0.22   0.12   0.05
     5   8    -0.24   0.05  -0.03    -0.10   0.01  -0.02     0.07   0.01  -0.01
     6   7    -0.07  -0.10   0.10    -0.13   0.07  -0.09    -0.16  -0.27  -0.00
     7   8     0.12  -0.03   0.06     0.09   0.01  -0.07     0.25   0.18  -0.02
     8   1     0.16   0.02  -0.12    -0.01  -0.10   0.20     0.05  -0.24  -0.06
     9   1    -0.24   0.28   0.06     0.12  -0.56   0.02     0.12   0.04   0.07
    10   1    -0.14  -0.04   0.28    -0.05  -0.04  -0.35     0.26  -0.18   0.22
    11   1     0.47  -0.01   0.04     0.16   0.03  -0.11    -0.25   0.15   0.14
    12   1     0.07  -0.29   0.08    -0.27   0.40  -0.08    -0.01  -0.33  -0.04
    13   1    -0.22   0.10   0.10    -0.14   0.01  -0.16    -0.40   0.01  -0.05
    14   1    -0.18   0.03  -0.22     0.03   0.15  -0.03     0.14   0.07  -0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    614.1270               737.6392               853.8998
 Red. masses --      3.5274                 6.8628                 1.5415
 Frc consts  --      0.7838                 2.2001                 0.6622
 IR Inten    --     20.9959                 9.5910                85.6708
 RamAct Fr= 1--      0.9986                 4.1933                 3.6009
  Dep-P Fr= 1--      0.2672                 0.0600                 0.1387
  Dep-U Fr= 1--      0.4217                 0.1131                 0.2436
 Alpha2 Fr= 1--      0.0113                 0.0809                 0.0573
 Beta2  Fr= 1--      0.0702                 0.0791                 0.1462
 AlphaG Fr= 1--      0.0133                 0.0293                -0.1083
 Gamma2 Fr= 1--      0.5676                -0.1584                -0.6896
 Delta2 Fr= 1--      0.2753                 0.0215                -0.4319
 Raman1 Fr= 1--       3.994                 16.773                 14.404
 ROA1   Fr= 1--      63.295                -14.515                -80.025
 CID1   Fr= 1--      15.846                 -0.865                 -5.556
 Raman2 Fr= 1--       0.842                  0.949                  1.754
 ROA2   Fr= 1--      11.420                 -3.973                -13.096
 CID2   Fr= 1--      13.559                 -4.187                 -7.466
 Raman3 Fr= 1--       1.684                  1.898                  3.508
 ROA3   Fr= 1--      63.295                -14.515                -80.025
 CID3   Fr= 1--      37.577                 -7.649                -22.811
 RC180  Fr= 1--      -0.157                 -0.774                 -0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.15  -0.10    -0.03   0.05  -0.07     0.04  -0.09   0.02
     2   6    -0.19  -0.03   0.04     0.10  -0.01  -0.07     0.02  -0.02  -0.09
     3   6    -0.06  -0.04   0.25     0.34   0.11   0.36    -0.01  -0.01   0.06
     4   8     0.03   0.13  -0.07     0.06  -0.25  -0.10    -0.03   0.02  -0.05
     5   8     0.08  -0.02   0.02    -0.08  -0.01   0.02    -0.02  -0.00   0.01
     6   7     0.01  -0.07  -0.01    -0.06  -0.13  -0.02    -0.03   0.12  -0.02
     7   8     0.12  -0.09  -0.10    -0.14   0.25  -0.08     0.00  -0.03  -0.00
     8   1    -0.63  -0.06  -0.02    -0.32  -0.11  -0.11    -0.06  -0.03  -0.09
     9   1    -0.09   0.28  -0.10    -0.18   0.23  -0.07    -0.01   0.05   0.02
    10   1    -0.02   0.10   0.05    -0.07  -0.00   0.10     0.10  -0.14   0.15
    11   1     0.28   0.02   0.00    -0.42  -0.00   0.10     0.16  -0.03   0.86
    12   1     0.03  -0.16  -0.00    -0.08  -0.22  -0.00     0.00  -0.14   0.01
    13   1     0.20  -0.28   0.04    -0.18   0.12   0.06     0.19   0.05   0.19
    14   1    -0.12  -0.18   0.16    -0.09  -0.02   0.01     0.11   0.11  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    860.7673               888.2992               965.1051
 Red. masses --      2.0260                 1.6960                 1.4519
 Frc consts  --      0.8844                 0.7885                 0.7968
 IR Inten    --     20.3436                71.5909                56.8199
 RamAct Fr= 1--      5.4226                 1.7310                 0.3115
  Dep-P Fr= 1--      0.0520                 0.4053                 0.7011
  Dep-U Fr= 1--      0.0988                 0.5768                 0.8243
 Alpha2 Fr= 1--      0.1066                 0.0126                 0.0003
 Beta2  Fr= 1--      0.0893                 0.1664                 0.0428
 AlphaG Fr= 1--      0.0741                 0.0284                 0.0028
 Gamma2 Fr= 1--     -0.2470                 0.4680                 0.3819
 Delta2 Fr= 1--     -0.1643                 0.2774                 0.2476
 Raman1 Fr= 1--      21.690                  6.924                  1.246
 ROA1   Fr= 1--     -28.965                 53.804                 44.585
 CID1   Fr= 1--      -1.335                  7.771                 35.788
 Raman2 Fr= 1--       1.072                  1.997                  0.513
 ROA2   Fr= 1--      -4.613                  9.013                  7.185
 CID2   Fr= 1--      -4.305                  4.513                 13.993
 Raman3 Fr= 1--       2.143                  3.994                  1.027
 ROA3   Fr= 1--     -28.965                 53.804                 44.585
 CID3   Fr= 1--     -13.516                 13.471                 43.416
 RC180  Fr= 1--      -0.802                  0.154                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.07   0.01    -0.03   0.10  -0.01     0.01  -0.08  -0.06
     2   6    -0.12  -0.03   0.11     0.09   0.05   0.05    -0.09  -0.01   0.05
     3   6     0.04   0.04  -0.15    -0.02  -0.01  -0.00    -0.01   0.02  -0.07
     4   8     0.07  -0.07  -0.02    -0.04   0.02  -0.02     0.04  -0.04  -0.00
     5   8     0.05   0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01   0.02
     6   7    -0.06  -0.02  -0.02     0.07  -0.14  -0.05     0.06  -0.01   0.01
     7   8    -0.00   0.08   0.04     0.00  -0.02   0.01     0.00   0.03   0.02
     8   1    -0.04  -0.07   0.12     0.19  -0.01   0.06    -0.34   0.23   0.01
     9   1     0.08  -0.15   0.01     0.00  -0.12  -0.01    -0.06   0.37  -0.07
    10   1    -0.07   0.13  -0.18    -0.16   0.19  -0.23     0.16  -0.25   0.36
    11   1    -0.02  -0.01   0.59     0.16  -0.05   0.59     0.04  -0.03   0.14
    12   1     0.22  -0.12  -0.08    -0.45   0.21   0.05    -0.33   0.48   0.06
    13   1     0.30  -0.53  -0.03    -0.22   0.28  -0.01    -0.18   0.13  -0.14
    14   1    -0.08  -0.10   0.08    -0.11  -0.08   0.07     0.03   0.01  -0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1048.8272              1090.8141              1112.7915
 Red. masses --      4.0101                 2.2742                 2.1750
 Frc consts  --      2.5991                 1.5943                 1.5869
 IR Inten    --    108.1381                28.2020                42.6417
 RamAct Fr= 1--      4.2263                 1.9803                 1.9389
  Dep-P Fr= 1--      0.3364                 0.3909                 0.7462
  Dep-U Fr= 1--      0.5035                 0.5621                 0.8547
 Alpha2 Fr= 1--      0.0388                 0.0151                 0.0001
 Beta2  Fr= 1--      0.3546                 0.1855                 0.2762
 AlphaG Fr= 1--      0.0365                -0.0150                 0.0000
 Gamma2 Fr= 1--     -0.1331                 0.7753                 0.0915
 Delta2 Fr= 1--      0.2783                 0.4200                -0.6691
 Raman1 Fr= 1--      16.905                  7.921                  7.756
 ROA1   Fr= 1--      -3.869                 87.872                -12.629
 CID1   Fr= 1--      -0.229                 11.093                 -1.628
 Raman2 Fr= 1--       4.256                  2.226                  3.314
 ROA2   Fr= 1--      -5.420                 15.248                  7.548
 CID2   Fr= 1--      -1.274                  6.849                  2.278
 Raman3 Fr= 1--       8.511                  4.453                  6.628
 ROA3   Fr= 1--      -3.869                 87.872                -12.629
 CID3   Fr= 1--      -0.455                 19.735                 -1.905
 RC180  Fr= 1--       0.007                  0.124                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.26  -0.13   0.20     0.19   0.08   0.07     0.05  -0.06   0.06
     2   6    -0.12   0.06  -0.09    -0.15   0.03  -0.05    -0.03   0.26  -0.01
     3   6    -0.06   0.04   0.06    -0.05   0.03  -0.03     0.03  -0.02   0.00
     4   8     0.07  -0.07  -0.02     0.05  -0.05  -0.00     0.01   0.02  -0.00
     5   8     0.23   0.09  -0.09    -0.10  -0.07   0.02    -0.01  -0.03   0.02
     6   7     0.07   0.00  -0.01     0.07   0.01  -0.01    -0.03  -0.13  -0.04
     7   8     0.00   0.03  -0.01     0.01   0.03   0.00    -0.02  -0.04   0.00
     8   1    -0.03  -0.25  -0.06    -0.40  -0.23  -0.07    -0.18   0.51  -0.04
     9   1    -0.12  -0.41   0.19     0.24  -0.36   0.09    -0.00  -0.03   0.06
    10   1    -0.22  -0.01  -0.13     0.27   0.17  -0.25    -0.19  -0.01   0.03
    11   1     0.11  -0.08  -0.05     0.06  -0.05  -0.07    -0.03   0.03   0.02
    12   1    -0.19  -0.18   0.06    -0.14  -0.26   0.05     0.08  -0.12  -0.08
    13   1    -0.18   0.47   0.12    -0.14   0.43   0.12     0.05  -0.33  -0.10
    14   1     0.20   0.07  -0.04     0.00   0.04  -0.02     0.45   0.37  -0.26
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1188.4043              1214.3847              1238.3080
 Red. masses --      1.3754                 2.3294                 1.2882
 Frc consts  --      1.1444                 2.0240                 1.1638
 IR Inten    --      3.4605                13.8222                26.8324
 RamAct Fr= 1--      3.1921                 4.6844                 2.6093
  Dep-P Fr= 1--      0.5923                 0.2565                 0.6605
  Dep-U Fr= 1--      0.7439                 0.4082                 0.7955
 Alpha2 Fr= 1--      0.0094                 0.0545                 0.0042
 Beta2  Fr= 1--      0.3958                 0.3187                 0.3460
 AlphaG Fr= 1--     -0.0162                 0.0099                -0.0067
 Gamma2 Fr= 1--      1.2123                -0.5793                -0.2294
 Delta2 Fr= 1--      0.1723                -0.1299                -0.3666
 Raman1 Fr= 1--      12.768                 18.737                 10.437
 ROA1   Fr= 1--     121.900                -59.774                -33.759
 CID1   Fr= 1--       9.547                 -3.190                 -3.234
 Raman2 Fr= 1--       4.749                  3.825                  4.151
 ROA2   Fr= 1--      27.718                -12.865                 -2.574
 CID2   Fr= 1--       5.836                 -3.364                 -0.620
 Raman3 Fr= 1--       9.499                  7.649                  8.303
 ROA3   Fr= 1--     121.900                -59.774                -33.759
 CID3   Fr= 1--      12.833                 -7.814                 -4.066
 RC180  Fr= 1--       0.488                 -0.184                  0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.10    -0.03  -0.01   0.03    -0.01   0.07   0.00
     2   6    -0.04  -0.04  -0.09    -0.02   0.01   0.04     0.05  -0.11   0.01
     3   6     0.05  -0.02   0.04     0.25  -0.09  -0.10    -0.02   0.01  -0.03
     4   8    -0.01   0.02  -0.01    -0.06   0.12   0.02    -0.01  -0.01   0.01
     5   8     0.00  -0.02  -0.04     0.02   0.02  -0.02     0.01  -0.04   0.01
     6   7     0.00  -0.00   0.05     0.01   0.01  -0.01     0.01   0.03   0.03
     7   8    -0.00  -0.00  -0.01    -0.04  -0.08   0.01     0.01   0.02   0.00
     8   1     0.10   0.33  -0.09    -0.55  -0.28  -0.02    -0.31  -0.13  -0.03
     9   1    -0.36  -0.27   0.07    -0.09  -0.06   0.02    -0.46   0.00  -0.04
    10   1     0.50   0.07  -0.19     0.04  -0.01  -0.01    -0.30   0.16  -0.14
    11   1    -0.07   0.05   0.05    -0.51   0.32   0.10     0.07  -0.04  -0.03
    12   1    -0.07   0.45   0.02    -0.05  -0.16   0.02    -0.02   0.14   0.02
    13   1     0.01  -0.28  -0.19    -0.11   0.26   0.06     0.01  -0.01  -0.01
    14   1    -0.07  -0.07   0.04    -0.06  -0.06   0.04     0.50   0.40  -0.27
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1272.6215              1316.5925              1403.1630
 Red. masses --      1.4807                 1.2357                 1.2749
 Frc consts  --      1.4129                 1.2620                 1.4789
 IR Inten    --      2.5531                12.5220                21.7728
 RamAct Fr= 1--      2.5809                 4.0362                 4.2008
  Dep-P Fr= 1--      0.3934                 0.7294                 0.6657
  Dep-U Fr= 1--      0.5646                 0.8435                 0.7993
 Alpha2 Fr= 1--      0.0196                 0.0014                 0.0063
 Beta2  Fr= 1--      0.2429                 0.5674                 0.5596
 AlphaG Fr= 1--      0.0279                -0.0045                 0.0080
 Gamma2 Fr= 1--     -0.2418                -0.5100                 1.0452
 Delta2 Fr= 1--     -1.0157                 0.3065                -0.3950
 Raman1 Fr= 1--      10.324                 16.145                 16.803
 ROA1   Fr= 1--     -55.715                -39.153                 87.700
 CID1   Fr= 1--      -5.397                 -2.425                  5.219
 Raman2 Fr= 1--       2.914                  6.809                  6.716
 ROA2   Fr= 1--       2.322                -14.692                 28.246
 CID2   Fr= 1--       0.797                 -2.158                  4.206
 Raman3 Fr= 1--       5.829                 13.618                 13.431
 ROA3   Fr= 1--     -55.715                -39.153                 87.700
 CID3   Fr= 1--      -9.559                 -2.875                  6.530
 RC180  Fr= 1--       0.129                  0.687                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.01   0.02  -0.06     0.02   0.01   0.01
     2   6    -0.14  -0.05  -0.08    -0.08   0.04   0.07    -0.03  -0.12   0.04
     3   6     0.07  -0.02   0.03     0.01  -0.00   0.02    -0.01   0.01   0.01
     4   8    -0.00   0.03  -0.01     0.02   0.00  -0.01     0.03   0.00  -0.00
     5   8    -0.00  -0.01   0.04     0.00  -0.04   0.00     0.00   0.01  -0.00
     6   7     0.03   0.01   0.05     0.01  -0.00  -0.03     0.02   0.02  -0.06
     7   8    -0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
     8   1     0.45  -0.14  -0.02     0.57  -0.23   0.16     0.10   0.79   0.03
     9   1     0.49   0.03   0.00    -0.44   0.14  -0.09    -0.07  -0.06   0.01
    10   1    -0.49   0.07  -0.02     0.40  -0.06   0.03    -0.22   0.04   0.01
    11   1    -0.19   0.12   0.06    -0.14   0.08   0.03    -0.26   0.15   0.03
    12   1    -0.12   0.27   0.05    -0.01  -0.21  -0.00     0.03  -0.27  -0.04
    13   1    -0.06  -0.08  -0.13    -0.04   0.15   0.06    -0.03   0.30   0.13
    14   1     0.20   0.17  -0.09     0.23   0.17  -0.12    -0.02  -0.01   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1414.9043              1444.8754              1519.8430
 Red. masses --      1.6567                 1.4536                 1.0842
 Frc consts  --      1.9541                 1.7880                 1.4756
 IR Inten    --    394.6915                 2.0591                 2.7722
 RamAct Fr= 1--      2.8292                 0.3553                 4.0632
  Dep-P Fr= 1--      0.2165                 0.4652                 0.7378
  Dep-U Fr= 1--      0.3559                 0.6350                 0.8491
 Alpha2 Fr= 1--      0.0368                 0.0020                 0.0008
 Beta2  Fr= 1--      0.1678                 0.0376                 0.5750
 AlphaG Fr= 1--     -0.0267                 0.0042                -0.0022
 Gamma2 Fr= 1--      0.0884                 0.3833                 0.1761
 Delta2 Fr= 1--      0.1968                 0.1366                -0.1080
 Raman1 Fr= 1--      11.317                  1.421                 16.253
 ROA1   Fr= 1--      14.783                 41.166                 13.448
 CID1   Fr= 1--       1.306                 28.964                  0.827
 Raman2 Fr= 1--       2.014                  0.451                  6.900
 ROA2   Fr= 1--       0.547                  8.106                  5.090
 CID2   Fr= 1--       0.271                 17.963                  0.738
 Raman3 Fr= 1--       4.028                  0.902                 13.801
 ROA3   Fr= 1--      14.783                 41.166                 13.448
 CID3   Fr= 1--       3.670                 45.614                  0.974
 RC180  Fr= 1--      -0.288                  0.270                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.16   0.07  -0.03     0.02   0.06  -0.05
     2   6    -0.07  -0.03   0.03     0.05  -0.04   0.01     0.00   0.01  -0.00
     3   6     0.15  -0.06  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     4   8    -0.12   0.01   0.02    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   8     0.01  -0.00   0.00    -0.00  -0.05   0.03     0.00   0.01  -0.00
     6   7     0.02   0.02  -0.02    -0.00   0.00  -0.01     0.00  -0.00   0.01
     7   8    -0.01   0.06   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   1     0.12   0.22   0.04    -0.10   0.17  -0.01     0.02  -0.06  -0.00
     9   1    -0.00  -0.02  -0.00     0.63  -0.13   0.03    -0.13  -0.67  -0.03
    10   1    -0.01  -0.00   0.02     0.56  -0.05   0.06    -0.13  -0.19   0.68
    11   1     0.79  -0.44  -0.15    -0.04   0.02   0.00    -0.00   0.00   0.00
    12   1    -0.01  -0.19  -0.00     0.02  -0.02  -0.01    -0.02   0.01   0.01
    13   1    -0.00   0.09   0.02    -0.00   0.06   0.04    -0.00  -0.04  -0.03
    14   1     0.03   0.02  -0.01     0.31   0.24  -0.16    -0.01  -0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1667.0515              1836.6731              2980.2718
 Red. masses --      1.0902                 9.7208                 1.0693
 Frc consts  --      1.7850                19.3203                 5.5959
 IR Inten    --     36.7159               312.4880                44.1429
 RamAct Fr= 1--      2.7997                12.7740               121.0930
  Dep-P Fr= 1--      0.6344                 0.2756                 0.1139
  Dep-U Fr= 1--      0.7763                 0.4321                 0.2045
 Alpha2 Fr= 1--      0.0059                 0.1408                 2.0489
 Beta2  Fr= 1--      0.3622                 0.9199                 4.1274
 AlphaG Fr= 1--      0.0025                 0.1019                -0.1019
 Gamma2 Fr= 1--      0.0712                 0.3793                 2.2115
 Delta2 Fr= 1--     -0.1475                 0.1501                 2.3128
 Raman1 Fr= 1--      11.199                 51.096                484.372
 ROA1   Fr= 1--       2.117                 41.216                286.313
 CID1   Fr= 1--       0.189                  0.807                  0.591
 Raman2 Fr= 1--       4.347                 11.039                 49.529
 ROA2   Fr= 1--       2.889                  7.902                 34.573
 CID2   Fr= 1--       0.665                  0.716                  0.698
 Raman3 Fr= 1--       8.694                 22.078                 99.057
 ROA3   Fr= 1--       2.117                 41.216                286.313
 CID3   Fr= 1--       0.243                  1.867                  2.890
 RC180  Fr= 1--       0.553                 -0.136                 -0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.01   0.02  -0.01     0.00   0.01  -0.07
     2   6    -0.03   0.01  -0.01    -0.02  -0.04   0.01    -0.00  -0.00   0.01
     3   6     0.01  -0.01  -0.00     0.18   0.70  -0.02     0.00   0.00  -0.00
     4   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00  -0.00   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
     6   7    -0.03  -0.06  -0.02    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.11  -0.43   0.01    -0.00  -0.00   0.00
     8   1     0.02  -0.04  -0.00    -0.00   0.02   0.00     0.02  -0.01  -0.12
     9   1    -0.00  -0.02  -0.00     0.04  -0.02  -0.02    -0.07   0.02   0.96
    10   1    -0.01  -0.00   0.02     0.06   0.02   0.01    -0.03  -0.19  -0.09
    11   1     0.02  -0.02  -0.02     0.47  -0.20  -0.09     0.00  -0.00  -0.00
    12   1     0.43   0.53  -0.17    -0.00   0.01   0.00     0.00   0.01   0.00
    13   1     0.22   0.31   0.59     0.02  -0.03   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.03   0.02  -0.01     0.01   0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3045.3174              3076.2338              3447.4961
 Red. masses --      1.0819                 1.0941                 1.0641
 Frc consts  --      5.9115                 6.1003                 7.4515
 IR Inten    --      6.6796                19.6530               254.2070
 RamAct Fr= 1--     56.9022                64.5417                72.3884
  Dep-P Fr= 1--      0.2785                 0.2244                 0.0766
  Dep-U Fr= 1--      0.4357                 0.3665                 0.1423
 Alpha2 Fr= 1--      0.6218                 0.8210                 1.3415
 Beta2  Fr= 1--      4.1318                 3.9425                 1.7172
 AlphaG Fr= 1--     -0.0922                -0.5795                 0.0923
 Gamma2 Fr= 1--      0.8886                -4.2337                 0.7673
 Delta2 Fr= 1--      1.7570                -3.4174                 1.5124
 Raman1 Fr= 1--     227.609                258.167                289.553
 ROA1   Fr= 1--     141.528               -515.790                122.053
 CID1   Fr= 1--       0.622                 -1.998                  0.422
 Raman2 Fr= 1--      49.581                 47.310                 20.607
 ROA2   Fr= 1--       7.270                -74.269                  6.316
 CID2   Fr= 1--       0.147                 -1.570                  0.306
 Raman3 Fr= 1--      99.162                 94.620                 41.214
 ROA3   Fr= 1--     141.528               -515.790                122.053
 CID3   Fr= 1--       1.427                 -5.451                  2.961
 RC180  Fr= 1--      -0.129                 -0.267                 -0.715
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.00    -0.01  -0.07  -0.04     0.00  -0.00   0.00
     2   6     0.01  -0.00  -0.08     0.00  -0.00  -0.02    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.05   0.00
     5   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   7    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.12   0.03   0.96    -0.02   0.00   0.18    -0.00  -0.00  -0.00
     9   1    -0.00   0.00   0.08    -0.01  -0.01   0.21     0.00   0.00  -0.00
    10   1    -0.03  -0.19  -0.07     0.11   0.90   0.31     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.42   0.89  -0.04
    12   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.03   0.01   0.11
    13   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.07   0.04  -0.05
    14   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3489.5718              3575.2885              3819.9422
 Red. masses --      1.0535                 1.0893                 1.0666
 Frc consts  --      7.5587                 8.2039                 9.1698
 IR Inten    --      0.6421                11.0645                41.5137
 RamAct Fr= 1--     75.1333                48.9097               108.6902
  Dep-P Fr= 1--      0.0840                 0.4952                 0.2110
  Dep-U Fr= 1--      0.1549                 0.6624                 0.3485
 Alpha2 Fr= 1--      1.3678                 0.2470                 1.4334
 Beta2  Fr= 1--      1.9403                 5.3993                 6.3125
 AlphaG Fr= 1--     -0.1272                 0.0538                -0.0168
 Gamma2 Fr= 1--     -2.0063                 0.9478                -0.3181
 Delta2 Fr= 1--     -0.7905                -0.3873                 0.2147
 Raman1 Fr= 1--     300.533                195.639                434.761
 ROA1   Fr= 1--    -217.899                 78.595                -23.668
 CID1   Fr= 1--      -0.725                  0.402                 -0.054
 Raman2 Fr= 1--      23.283                 64.792                 75.750
 ROA2   Fr= 1--     -41.827                 25.846                 -9.352
 CID2   Fr= 1--      -1.796                  0.399                 -0.123
 Raman3 Fr= 1--      46.567                129.583                151.499
 ROA3   Fr= 1--    -217.899                 78.595                -23.668
 CID3   Fr= 1--      -4.679                  0.607                 -0.156
 RC180  Fr= 1--      -0.690                  0.325                 -0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.01  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05   0.04  -0.02
     6   7    -0.03  -0.02  -0.04    -0.03  -0.03   0.06     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   1    -0.06  -0.12   0.00    -0.01  -0.03   0.00    -0.00  -0.00   0.00
    12   1     0.20   0.07   0.86    -0.13  -0.04  -0.42    -0.00   0.00  -0.00
    13   1     0.29   0.22  -0.26     0.62   0.43  -0.48     0.00   0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.73  -0.61   0.31

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   388.76435 972.127941302.98985
           X            0.99962  -0.02684   0.00649
           Y            0.02687   0.99963  -0.00380
           Z           -0.00639   0.00397   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.22279     0.08910     0.06647
 Rotational constants (GHZ):           4.64225     1.85649     1.38508
 Zero-point vibrational energy     297188.5 (Joules/Mol)
                                   71.02976 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     98.19   168.30   288.12   351.38   409.78
          (Kelvin)            462.62   534.81   616.06   758.07   883.59
                             1061.30  1228.57  1238.45  1278.06  1388.57
                             1509.03  1569.44  1601.06  1709.85  1747.23
                             1781.65  1831.02  1894.28  2018.84  2035.73
                             2078.85  2186.72  2398.52  2642.56  4287.95
                             4381.53  4426.01  4960.18  5020.72  5144.04
                             5496.04
 
 Zero-point correction=                           0.113193 (Hartree/Particle)
 Thermal correction to Energy=                    0.120895
 Thermal correction to Enthalpy=                  0.121839
 Thermal correction to Gibbs Free Energy=         0.081041
 Sum of electronic and zero-point Energies=           -399.039687
 Sum of electronic and thermal Energies=              -399.031985
 Sum of electronic and thermal Enthalpies=            -399.031040
 Sum of electronic and thermal Free Energies=         -399.071838
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.863             26.963             85.867
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.690
 Vibrational             74.085             21.001             18.313
 Vibration     1          0.598              1.969              4.203
 Vibration     2          0.608              1.935              3.150
 Vibration     3          0.638              1.840              2.131
 Vibration     4          0.660              1.772              1.772
 Vibration     5          0.683              1.702              1.505
 Vibration     6          0.707              1.632              1.302
 Vibration     7          0.743              1.530              1.073
 Vibration     8          0.790              1.409              0.865
 Vibration     9          0.882              1.190              0.594
 Vibration    10          0.974              1.002              0.426
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.529199D-37        -37.276381        -85.832039
 Total V=0       0.614892D+15         14.788799         34.052468
 Vib (Bot)       0.497847D-50        -50.302904       -115.826717
 Vib (Bot)    1  0.302264D+01          0.480387          1.106132
 Vib (Bot)    2  0.174828D+01          0.242610          0.558631
 Vib (Bot)    3  0.995605D+00         -0.001913         -0.004404
 Vib (Bot)    4  0.801323D+00         -0.096193         -0.221492
 Vib (Bot)    5  0.673315D+00         -0.171782         -0.395542
 Vib (Bot)    6  0.584095D+00         -0.233516         -0.537691
 Vib (Bot)    7  0.489209D+00         -0.310506         -0.714966
 Vib (Bot)    8  0.407503D+00         -0.389869         -0.897706
 Vib (Bot)    9  0.304419D+00         -0.516529         -1.189352
 Vib (Bot)   10  0.239602D+00         -0.620510         -1.428776
 Vib (V=0)       0.578464D+02          1.762276          4.057791
 Vib (V=0)    1  0.356372D+01          0.551904          1.270805
 Vib (V=0)    2  0.231837D+01          0.365183          0.840865
 Vib (V=0)    3  0.161411D+01          0.207932          0.478781
 Vib (V=0)    4  0.144452D+01          0.159724          0.367777
 Vib (V=0)    5  0.133866D+01          0.126671          0.291670
 Vib (V=0)    6  0.126887D+01          0.103419          0.238130
 Vib (V=0)    7  0.119952D+01          0.079007          0.181920
 Vib (V=0)    8  0.114503D+01          0.058815          0.135428
 Vib (V=0)    9  0.108538D+01          0.035582          0.081931
 Vib (V=0)   10  0.105444D+01          0.023024          0.053014
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.251201D+06          5.400021         12.434008
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        3 3 3           33 2                                     1     1    1 111  11111 11 1                                  
     8        5 4 4           00 9                                     8     6    5 444  32221 10 0 9 888   7   6  5  4 3 322 2  1   
     2        7 9 4           74 8                                     3     6    2 410  17318 19 4 6 865   3   1  2  2 7 284 0  16  
     0        5 0 7           65 0                                     7     7    0 553  73848 31 9 5 814   8   4  7  8 2 254 0  78  
 
     X        X X X           XX X                                     X     X    X XXX  XXXXX XX X X XXX   X   X  X  X X XXX X  XX  
     X            X              X                                     X     X       X         X  X X X X                   X        
                  X                                                    X             X            X X X X                   X        
                  X                                                    X             X            X   X X                   X        
                  X                                                    X             X            X                         X        
                  X                                                    X             X                                      X        
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                  X                                                    X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                       X             X                                               
                                                                                     X                                               
                                                                                     X                                               
                                                                                     X                                               
                                                                                     X                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000020648    0.000002176    0.000006413
      2        6          -0.000017274    0.000010208   -0.000002417
      3        6           0.000024474    0.000008749   -0.000000153
      4        8           0.000004918    0.000014862   -0.000000745
      5        8          -0.000019927   -0.000006786   -0.000004611
      6        7          -0.000002180   -0.000005458   -0.000009011
      7        8          -0.000005130   -0.000011841    0.000001402
      8        1          -0.000000218    0.000000379    0.000000097
      9        1          -0.000000365   -0.000001680    0.000000984
     10        1           0.000000872    0.000000190   -0.000001714
     11        1          -0.000010690   -0.000012380    0.000001031
     12        1           0.000002003    0.000000976    0.000002479
     13        1           0.000003500   -0.000000120    0.000001222
     14        1          -0.000000632    0.000000725    0.000005021
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000024474 RMS     0.000008278
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.664453D+02 -0.299083D+00 -0.678947D+00
      2  -0.299083D+00  0.648136D+02 -0.233405D+00
      3  -0.678947D+00 -0.233405D+00  0.479534D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.635989D+00 -0.175543D+01 -0.142237D+01
      2   0.223760D+01 -0.841240D+00  0.112080D+02
      3   0.567502D+01  0.507788D+01  0.190489D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.293957D+02 -0.388983D+01 -0.108560D+01
      2  -0.194473D+02  0.223738D+01 -0.212432D+01
      3  -0.994839D+01  0.165245D+01  0.320992D+01
      4   0.111001D+01 -0.924691D+01 -0.335262D+01
      5   0.330994D+01 -0.532638D+01  0.249941D+02
      6  -0.181313D+01  0.230355D+01  0.636045D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.103007D+01 -0.203273D+01  0.892505D+00 -0.277082D+01  0.127393D+01
      2  -0.203273D+01  0.222500D+01 -0.349814D+00  0.127393D+01  0.398224D+01
      3   0.892505D+00 -0.349814D+00  0.119350D+01  0.116251D-01  0.157447D+01
                 6             7             8             9            10 
      1   0.116251D-01  0.158387D+01 -0.238775D+00  0.120594D+01  0.116182D+01
      2   0.157447D+01 -0.238775D+00  0.195859D+01  0.868757D+00  0.285731D+01
      3   0.520311D+00  0.120594D+01  0.868757D+00 -0.748581D+01 -0.545478D+00
                11            12            13            14            15 
      1   0.285731D+01 -0.545478D+00  0.215272D+01 -0.245634D+00 -0.579847D-02
      2  -0.196087D+01  0.507087D+00 -0.245634D+00 -0.315060D+01 -0.736490D+00
      3   0.507087D+00 -0.489425D+00 -0.579847D-02 -0.736490D+00  0.321753D+00
                16            17            18            19            20 
      1  -0.358085D+00  0.970631D+00 -0.705821D+00 -0.180466D+01 -0.171723D+01
      2   0.970631D+00 -0.132847D+01 -0.132789D+00 -0.171723D+01  0.176876D+01
      3  -0.705821D+00 -0.132789D+00  0.677114D+01 -0.159828D+00 -0.257959D-01
                21            22            23            24            25 
      1  -0.159828D+00 -0.921585D-01  0.230213D+01  0.342251D-01  0.338861D-01
      2  -0.257959D-01  0.230213D+01  0.611117D+01 -0.402529D-01  0.130491D+00
      3  -0.302569D+00  0.342251D-01 -0.402529D-01  0.348406D+00 -0.157388D+00
                26            27            28            29            30 
      1   0.130491D+00 -0.157388D+00 -0.781596D+01  0.167709D+01  0.358548D+00
      2   0.340690D+00  0.342978D+00  0.167709D+01 -0.271272D+01 -0.190723D+00
      3   0.342978D+00 -0.480505D+00  0.358548D+00 -0.190723D+00 -0.107565D+01
                31            32            33            34            35 
      1  -0.180617D+01 -0.365656D+01 -0.733096D-01  0.861269D+00 -0.176662D+00
      2  -0.365656D+01 -0.528042D+00  0.172412D+00 -0.176662D+00  0.169564D+00
      3  -0.733096D-01  0.172412D+00  0.574365D+00 -0.173614D+01  0.125646D+01
                36            37            38            39            40 
      1  -0.173614D+01  0.163532D+01  0.266694D+01 -0.143094D+01  0.581083D+01
      2   0.125646D+01  0.266694D+01 -0.982932D+00  0.583863D+00 -0.588651D+00
      3   0.719054D+00 -0.143094D+01  0.583863D+00 -0.450166D+00  0.548869D+00
                41            42            43            44            45 
      1  -0.588651D+00  0.548869D+00 -0.346513D+01  0.700607D+00  0.831603D+00
      2   0.238815D+01 -0.978460D+00  0.700607D+00 -0.109215D+01  0.455735D+00
      3  -0.978460D+00  0.726160D+00  0.831603D+00  0.455735D+00 -0.806817D+00
                46            47            48            49            50 
      1  -0.237916D+01 -0.193073D+01  0.984106D+00 -0.106981D+01 -0.142253D+01
      2  -0.193073D+01 -0.141637D+01  0.876878D-01 -0.142253D+01  0.491529D+01
      3   0.984106D+00  0.876878D-01 -0.185881D+01  0.315606D+00  0.653410D+00
                51            52            53            54            55 
      1   0.315606D+00  0.119205D+01  0.320424D+00 -0.190375D+01 -0.203369D+01
      2   0.653410D+00  0.320424D+00  0.733707D+00 -0.609457D+00 -0.322280D+01
      3  -0.584749D+00 -0.190375D+01 -0.609457D+00 -0.409193D+01  0.313935D-02
                56            57            58            59            60 
      1  -0.322280D+01  0.313935D-02 -0.417973D+01 -0.260718D+01  0.305389D-01
      2  -0.281970D+01 -0.178791D+00 -0.260718D+01 -0.131075D+02  0.258085D-01
      3  -0.178791D+00 -0.297778D+00  0.305389D-01  0.258085D-01 -0.233425D+01
                61            62            63            64            65 
      1  -0.115524D+00  0.594939D-02 -0.103176D+01  0.424588D+00 -0.520220D+00
      2   0.594939D-02  0.186393D+00 -0.318312D+01 -0.520220D+00  0.467051D+00
      3  -0.103176D+01 -0.318312D+01  0.115288D+00 -0.100172D+01 -0.897094D-01
                66            67            68            69            70 
      1  -0.100172D+01 -0.818641D+00  0.347518D+00  0.741328D-01 -0.199926D+01
      2  -0.897094D-01  0.347518D+00  0.615752D+00 -0.102060D+01 -0.175249D+00
      3   0.915249D+00  0.741328D-01 -0.102060D+01 -0.246488D+00  0.694077D+00
                71            72            73            74            75 
      1  -0.175249D+00  0.694077D+00 -0.401455D+00  0.185222D+00  0.108876D+01
      2  -0.152407D+01  0.228848D+00  0.185222D+00 -0.286390D+00  0.118084D+00
      3   0.228848D+00 -0.821330D+01  0.108876D+01  0.118084D+00 -0.842700D+00
                76            77            78            79            80 
      1   0.578572D+00 -0.224562D+00  0.601763D-02  0.207726D+01 -0.210844D+00
      2  -0.224562D+00 -0.758522D+00  0.969354D+00 -0.210844D+00  0.135004D+01
      3   0.601763D-02  0.969354D+00  0.128341D+00 -0.311788D+00 -0.114472D+01
                81            82            83            84            85 
      1  -0.311788D+00 -0.809625D+00 -0.753237D+00 -0.551983D+00 -0.154113D+01
      2  -0.114472D+01 -0.753237D+00 -0.431403D+00  0.341306D-01 -0.588414D-01
      3   0.850950D+01 -0.551983D+00  0.341306D-01 -0.938161D-01 -0.528342D-01
                86            87            88            89            90 
      1  -0.588414D-01 -0.528342D-01 -0.114790D+01  0.901926D-01 -0.195378D+00
      2  -0.770048D+01 -0.108204D+01  0.901926D-01 -0.178173D+01 -0.133835D+01
      3  -0.108204D+01 -0.125128D+01 -0.195378D+00 -0.133835D+01 -0.113713D+00
                91            92            93            94            95 
      1   0.223225D+01  0.186283D+01 -0.137569D+00  0.454515D+01  0.186548D+00
      2   0.186283D+01  0.591970D+00  0.125768D+00  0.186548D+00  0.475711D+01
      3  -0.137569D+00  0.125768D+00 -0.363431D+00 -0.887230D-01  0.102905D+00
                96            97            98            99           100 
      1  -0.887230D-01 -0.294438D+00 -0.674855D-01 -0.593290D+00  0.272412D+00
      2   0.102905D+00 -0.674855D-01 -0.120928D+00  0.574870D+00  0.715371D+00
      3   0.889744D+00 -0.593290D+00  0.574870D+00  0.580316D-01  0.686297D+00
               101           102           103           104           105 
      1   0.715371D+00  0.686297D+00  0.571219D+00  0.309579D+00  0.396734D+00
      2   0.562960D+00  0.638519D+00  0.309579D+00  0.105585D+01  0.698317D+00
      3   0.638519D+00  0.105410D+01  0.396734D+00  0.698317D+00  0.687441D+00
               106           107           108           109           110 
      1   0.173291D+01  0.465437D+00  0.148067D+01  0.311947D+01  0.245333D+01
      2   0.465437D+00  0.236334D+01  0.184330D+01  0.245333D+01  0.309153D+01
      3   0.148067D+01  0.184330D+01  0.599502D+01 -0.104586D+01 -0.867219D+00
               111           112           113           114           115 
      1  -0.104586D+01  0.274593D+01  0.206045D+01 -0.714630D+00 -0.217920D+01
      2  -0.867219D+00  0.206045D+01  0.327611D+01 -0.842643D+00 -0.116225D+01
      3   0.137156D+01 -0.714630D+00 -0.842643D+00  0.104863D+01  0.123365D+01
               116           117           118           119           120 
      1  -0.116225D+01  0.123365D+01  0.742874D+01 -0.224114D+01  0.860025D+00
      2  -0.194489D+01  0.127075D+01 -0.224114D+01  0.190311D+01 -0.393088D+00
      3   0.127075D+01 -0.138925D+01  0.860025D+00 -0.393088D+00  0.123993D+01
               121           122           123           124           125 
      1  -0.412598D+01  0.232381D+01 -0.482453D+00  0.207830D+01 -0.652465D+00
      2   0.232381D+01 -0.185651D+01  0.503807D+00 -0.652465D+00  0.689906D+00
      3  -0.482453D+00  0.503807D+00 -0.828386D+00  0.118937D+01 -0.433260D+00
               126 
      1   0.118937D+01
      2  -0.433260D+00
      3   0.413287D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.112612D+01  0.405255D+00  0.234349D+01 -0.805362D+00  0.685085D+01
      2   0.197228D+01 -0.116477D+01 -0.131096D+00  0.547972D-01  0.448147D+00
      3   0.272551D+01  0.108231D+01  0.277234D+00  0.618472D+01 -0.599337D+01
                 6             7             8             9            10 
      1  -0.120923D+01  0.159264D+01  0.282934D+01 -0.663897D+01 -0.132291D+01
      2  -0.815919D+00 -0.160881D+01  0.953444D+00 -0.521456D+01  0.134923D+01
      3  -0.184929D+01 -0.233562D+01 -0.252815D+01 -0.250556D+01  0.103662D+01
                11            12            13            14            15 
      1   0.523823D+00 -0.610745D+00  0.737516D+00  0.226142D+00 -0.437227D+00
      2  -0.526857D+00  0.324190D+01  0.188083D+01 -0.169421D+01  0.105352D+01
      3  -0.517590D+01  0.537555D+00 -0.593172D+00  0.552805D+00  0.563655D+00
                16            17            18            19            20 
      1  -0.116810D+01  0.447544D+01  0.208091D+00  0.744278D+00  0.845703D+00
      2  -0.282490D+01  0.248873D+00  0.659197D+00 -0.432673D+01 -0.132594D+00
      3  -0.836008D+00  0.115111D+01  0.607011D+00 -0.553567D+01 -0.914794D-01
                21            22            23            24            25 
      1   0.170448D+00  0.176227D+01  0.123088D+00  0.910043D+01 -0.294476D+00
      2  -0.565010D+01 -0.705200D+00  0.134837D+01 -0.176077D+01 -0.176511D+02
      3  -0.131403D+00 -0.661437D+00  0.918976D+01 -0.156737D+01  0.192984D+01
                26            27            28            29            30 
      1   0.984365D+01  0.899424D-01 -0.770990D+00 -0.590397D+00  0.292712D+01
      2  -0.146186D+01  0.314604D+01  0.393695D+00  0.324647D+00  0.788597D+01
      3  -0.210714D+01  0.984091D+00 -0.567098D+01 -0.147535D+02 -0.286219D-01
                31            32            33            34            35 
      1  -0.236987D+00 -0.491150D+00 -0.403835D+01  0.735912D+00  0.206775D+01
      2   0.819876D+00 -0.273654D+00 -0.945628D+00  0.492012D+01 -0.104977D+01
      3  -0.104242D+02 -0.799447D+01  0.227224D+00  0.172086D+00  0.181085D+01
                36            37            38            39            40 
      1  -0.536699D+00 -0.517037D+00 -0.568583D+00 -0.163811D+01  0.951292D+00
      2  -0.206375D+01 -0.592550D+01  0.172524D+01  0.451726D+01  0.207490D+01
      3   0.182983D+01 -0.119652D+02 -0.320126D+01 -0.932306D+00  0.433326D+01
                41            42            43            44            45 
      1  -0.675640D+00 -0.174491D+01  0.794847D-01  0.312843D+01 -0.169872D+00
      2  -0.213868D+01  0.430495D+01 -0.377858D+01  0.166235D+01 -0.390550D+01
      3  -0.929035D+01  0.185394D+01 -0.819056D+00  0.391759D+01 -0.176837D+01
                46            47            48            49            50 
      1  -0.243536D+01 -0.103834D+01  0.463057D+01 -0.196109D+01 -0.338387D+01
      2   0.103768D+00  0.159175D+01  0.359470D+01  0.552975D+00  0.633457D+00
      3  -0.539137D+01 -0.108946D+02  0.153561D+01  0.211509D+01 -0.161681D+01
                51            52            53            54            55 
      1  -0.308284D+01  0.517639D+01  0.623226D+01  0.761613D+01  0.285428D+00
      2  -0.724231D+00 -0.351814D+01 -0.715437D+00  0.272071D+00  0.232432D+00
      3   0.774003D+00  0.305700D+01  0.981302D+00 -0.440484D+01 -0.209364D+00
                56            57            58            59            60 
      1   0.102691D+00 -0.284399D+01 -0.652906D-01  0.869836D+00 -0.107232D+02
      2   0.155523D+00  0.478684D+01 -0.892630D+00 -0.663238D+00  0.445811D+01
      3  -0.501324D+01 -0.208054D+00  0.101173D+02 -0.181487D+02  0.440007D+00
                61            62            63            64            65 
      1  -0.392052D+00  0.899359D+00  0.406609D+00  0.369089D+00 -0.727299D+00
      2   0.230573D+01  0.438113D+01 -0.112885D+01  0.802132D+00 -0.192694D+00
      3  -0.126433D+01  0.567859D+00 -0.440337D+01  0.323227D+00 -0.686802D+00
                66            67            68            69            70 
      1   0.131528D+00 -0.565562D+00 -0.605261D+00 -0.339067D+00  0.240120D+00
      2   0.659136D+00 -0.277295D+00  0.401498D+00 -0.483288D+00 -0.266409D+01
      3  -0.209429D+00  0.121199D+01 -0.226207D+00  0.220436D+00 -0.136155D+00
                71            72            73            74            75 
      1   0.292155D+01  0.971703D+00  0.105111D+01 -0.569509D+00 -0.399841D+00
      2  -0.105510D+00 -0.162181D+01  0.185794D+01  0.309923D+00 -0.397748D+00
      3   0.334424D+00  0.255848D+00  0.503816D+00 -0.776283D+00 -0.104157D+01
                76            77            78            79            80 
      1  -0.425225D+00  0.498976D+00 -0.415196D+00 -0.700018D+00  0.279324D+01
      2  -0.229721D+00  0.142972D+01 -0.968070D-01 -0.492235D+01 -0.974353D+00
      3   0.521007D+00  0.782436D+00 -0.941221D+00 -0.161791D+01 -0.117499D+01
                81            82            83            84            85 
      1   0.787490D+01 -0.102216D+01 -0.448269D-02 -0.395074D+00 -0.280914D+00
      2   0.877517D+01 -0.500389D+00  0.264629D+00  0.675675D+00 -0.329865D+00
      3   0.184784D+01  0.305429D+01  0.119567D+01  0.609696D+00  0.539770D+01
                86            87            88            89            90 
      1  -0.400251D+01 -0.418020D+01 -0.358277D+00 -0.128853D+01 -0.935073D+00
      2  -0.460639D+00 -0.936036D+00 -0.123740D+01 -0.101248D+01 -0.292871D+00
      3   0.898634D+01  0.157302D+01  0.202610D+01  0.194490D+01  0.172788D+01
                91            92            93            94            95 
      1   0.652438D+00  0.356988D+00  0.934546D+00  0.307941D+00  0.713371D+00
      2  -0.468639D+00 -0.574052D+00 -0.147070D+01 -0.388169D+00 -0.562672D+00
      3   0.814945D+01  0.924423D+01 -0.442257D-01  0.119978D+02  0.152657D+02
                96            97            98            99           100 
      1  -0.114408D+01  0.890666D+00  0.109256D+01  0.231732D+00 -0.111311D+01
      2  -0.224508D+01 -0.202323D+01 -0.168172D+01  0.808525D-01 -0.465415D+00
      3   0.359282D+00 -0.450835D+00 -0.883926D+00 -0.981723D-01  0.603627D+00
               101           102           103           104           105 
      1  -0.612447D+00 -0.258345D+01 -0.404738D+00 -0.169385D+01 -0.203719D+01
      2   0.143447D+00  0.455186D+00  0.125805D+00 -0.141578D+00  0.356703D+00
      3   0.639795D+00  0.802929D+00  0.172708D+01  0.485863D+00  0.593036D+00
               106           107           108           109           110 
      1  -0.380120D+01 -0.147709D+01 -0.121754D+02  0.232213D+01  0.189121D+01
      2  -0.213243D+01  0.608245D+00  0.813008D+00  0.585903D+00 -0.320961D+00
      3   0.349101D+01 -0.694866D-01  0.298085D+01  0.700180D+01  0.283577D+01
               111           112           113           114           115 
      1  -0.366730D+01  0.168361D+01  0.163870D+01 -0.239911D+01 -0.266899D+01
      2   0.109473D+01 -0.166950D+00 -0.732104D-01  0.887988D+00 -0.659638D+00
      3  -0.212273D+01  0.619888D+01  0.253116D+01 -0.131953D+01 -0.507712D+01
               116           117           118           119           120 
      1  -0.142051D+01  0.254862D+01  0.630980D+00 -0.146084D-01  0.100080D+01
      2   0.420399D+00 -0.758190D+00  0.404994D+01 -0.171995D+01  0.471479D+01
      3  -0.143974D+01  0.215992D+01  0.552374D+01 -0.681189D+01  0.107198D+01
               121           122           123           124           125 
      1  -0.358113D+00  0.480344D-01 -0.132641D+01  0.518374D+00  0.309705D+00
      2  -0.251935D+01  0.174668D+01 -0.305351D+01  0.257178D+01 -0.112384D+01
      3  -0.490303D+01  0.532641D+01 -0.126651D+01  0.186101D+01 -0.250461D+01
               126 
      1   0.391595D+00
      2   0.157850D+01
      3   0.787039D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.164432D+02 -0.420074D+00 -0.185009D+01 -0.784708D+01  0.119984D+02
      2   0.910166D+01 -0.241523D+01 -0.405573D+01  0.372808D+01 -0.165328D+02
      3   0.734157D+01  0.283531D+01  0.590582D+01  0.411899D+01  0.453441D+01
      4  -0.382142D+01  0.419280D+00 -0.208901D+01  0.734984D+01  0.577779D+01
      5   0.391597D+01 -0.222606D+01 -0.395407D+01  0.855595D+00  0.336736D+01
      6  -0.390424D+01  0.229722D+01 -0.302656D+01  0.103779D+01 -0.598789D+01
                 6             7             8             9            10 
      1   0.234095D+01  0.592105D+01  0.190325D+01  0.167906D+02 -0.162167D+01
      2  -0.557607D+01 -0.477913D+01 -0.431994D+01  0.202561D+01  0.436710D+01
      3   0.323512D+01 -0.114192D+01  0.241669D+01 -0.188163D+02 -0.274543D+01
      4   0.281607D+01  0.853862D-01  0.503679D+01  0.888944D+00  0.813614D+00
      5  -0.144206D+01  0.411097D+01  0.221994D+01 -0.136646D+02 -0.709077D+00
      6   0.127341D+01 -0.131505D+01 -0.820679D+00  0.792506D+01  0.150293D+01
                11            12            13            14            15 
      1   0.201858D+01 -0.940982D+00  0.179442D+01  0.437991D+01  0.573261D+00
      2  -0.170114D+01  0.728670D-01 -0.422529D+00 -0.826272D+01 -0.931940D+00
      3  -0.317441D+00  0.868115D+00 -0.137189D+01  0.388281D+01  0.358679D+00
      4   0.273623D+01  0.516553D+00 -0.658624D+01  0.131504D+00 -0.994349D+00
      5   0.806695D+00  0.131553D+01 -0.221100D+00 -0.486891D+00  0.137424D+01
      6  -0.186888D+01  0.206853D+00 -0.237722D+01  0.199520D-02 -0.344332D+01
                16            17            18            19            20 
      1  -0.526722D+01  0.121538D+01  0.552379D+01 -0.533474D+01  0.956081D+01
      2   0.425096D+00 -0.455972D+01  0.987449D+01  0.564249D+00 -0.100691D+02
      3   0.484213D+01  0.334434D+01 -0.153983D+02  0.477049D+01  0.508341D+00
      4  -0.238254D+01 -0.111246D+01  0.464861D+00  0.361524D+01 -0.119589D+02
      5  -0.136236D+01 -0.689407D+00  0.754350D+01 -0.308324D+00 -0.141864D+01
      6   0.121700D+00  0.125170D+01  0.106670D+01 -0.540758D+00 -0.462665D-01
                21            22            23            24            25 
      1  -0.853094D+00  0.425689D+00  0.692206D+01 -0.812847D-01  0.181735D+01
      2  -0.176414D+01 -0.445785D+01 -0.182350D+02  0.782064D+00 -0.201729D+01
      3   0.261723D+01  0.403217D+01  0.113130D+02 -0.700779D+00  0.199932D+00
      4  -0.740523D+00 -0.227377D+02 -0.227302D+02  0.410843D+00 -0.486357D+00
      5  -0.686169D+01 -0.161370D+01 -0.483710D+00 -0.106949D+01  0.200124D+01
      6   0.165019D+01 -0.451569D+00 -0.101512D+01 -0.140015D+02 -0.416053D+00
                26            27            28            29            30 
      1  -0.215207D+01 -0.516775D+01  0.424982D+02 -0.810605D+01 -0.416448D+00
      2   0.143203D+01 -0.643291D+01 -0.260279D+02  0.213249D+01  0.109270D+01
      3   0.720040D+00  0.116007D+02 -0.164703D+02  0.597356D+01 -0.676249D+00
      4   0.255361D+01 -0.218074D+01 -0.199603D+02  0.174956D+02  0.906268D+00
      5  -0.158753D+01  0.304112D+01 -0.160338D+01  0.425526D+00  0.146835D+02
      6   0.369279D+01 -0.552321D-01  0.571882D+00 -0.350453D+00 -0.491762D+01
                31            32            33            34            35 
      1   0.429085D+01  0.924577D+01 -0.714896D+00 -0.122776D+01  0.484712D+00
      2  -0.601928D+01 -0.239086D+01  0.122304D+00  0.171593D+01  0.187111D+00
      3   0.172843D+01 -0.685491D+01  0.592591D+00 -0.488166D+00 -0.671823D+00
      4   0.167339D+02 -0.511988D+01 -0.118786D+01  0.149792D+01 -0.140099D+01
      5  -0.670660D+00 -0.137160D+01 -0.355842D+01  0.137146D+02 -0.589496D+01
      6  -0.843591D+00  0.655683D+00  0.820389D+01 -0.191572D+01  0.535357D+01
                36            37            38            39            40 
      1   0.532347D+01  0.139010D+02  0.146108D+02 -0.607019D+01  0.308139D+02
      2  -0.790535D+01 -0.104764D+02 -0.626418D+01  0.599402D+01 -0.161984D+02
      3   0.258188D+01 -0.342457D+01 -0.834658D+01  0.761729D-01 -0.146155D+02
      4  -0.544385D+01  0.173858D+02  0.272566D+01  0.393752D+01 -0.296267D+01
      5  -0.382545D+01 -0.105029D+02  0.370105D+01  0.934722D+01  0.352930D+01
      6   0.113836D+01  0.214158D+01 -0.925490D+00  0.974015D+00 -0.902604D+00
                41            42            43            44            45 
      1  -0.558395D+01  0.286440D+01 -0.178068D+02  0.315628D+01 -0.429176D+00
      2   0.538820D+01  0.239705D+00  0.962618D+01 -0.118811D+01 -0.576821D+01
      3   0.195750D+00 -0.310411D+01  0.818062D+01 -0.196817D+01  0.619739D+01
      4   0.145791D+02 -0.538408D+01  0.617185D+01 -0.714498D+01  0.239538D+01
      5  -0.467743D+01  0.649727D+01  0.901026D+01  0.312029D+01 -0.763009D+01
      6   0.143881D+01  0.328237D+01 -0.609746D+00  0.324095D+01  0.111195D+01
                46            47            48            49            50 
      1   0.125832D+02  0.299298D+00  0.149837D+01  0.139523D+01 -0.172752D+02
      2  -0.119676D+02 -0.426890D+01  0.157571D+01 -0.508174D+01  0.269789D+02
      3  -0.615629D+00  0.396960D+01 -0.307408D+01  0.368651D+01 -0.970369D+01
      4  -0.885595D+01 -0.471612D+01  0.310746D+01  0.101656D+01 -0.488440D+01
      5   0.180830D+01  0.131068D+01  0.119726D+01  0.864795D+00  0.563061D+00
      6   0.449972D+01  0.253319D+01 -0.797028D+01  0.290497D+01  0.467539D+01
                51            52            53            54            55 
      1  -0.944470D+00 -0.636318D-01  0.243208D+00  0.244985D+00  0.104310D+02
      2   0.363306D+01  0.281390D+01  0.462285D+01  0.677459D+00 -0.131475D+01
      3  -0.268859D+01 -0.275026D+01 -0.486606D+01 -0.922443D+00 -0.911627D+01
      4   0.164236D+01  0.433553D+01  0.223793D+01 -0.800062D+01  0.171159D+02
      5  -0.204802D+01  0.128777D+01 -0.301260D+01 -0.375416D+01  0.894651D+00
      6   0.355846D+01 -0.908760D+01 -0.896364D-01 -0.121047D+02  0.510231D+00
                56            57            58            59            60 
      1   0.510390D+01 -0.422755D+00  0.832368D+01 -0.218065D+02 -0.280742D+00
      2   0.322130D+01  0.563259D+00  0.253177D+01  0.419688D+02 -0.298587D+00
      3  -0.832520D+01 -0.140504D+00 -0.108555D+02 -0.201622D+02  0.579328D+00
      4   0.221442D+02  0.584127D+00  0.248019D+02  0.462180D+02  0.652829D+00
      5   0.910894D+00  0.732646D+01  0.968098D+00  0.150859D+01  0.852197D+01
      6   0.677427D+00  0.385554D+01  0.867286D+00  0.781767D+00  0.170457D+02
                61            62            63            64            65 
      1   0.926684D-02  0.353577D+00 -0.373987D+01  0.119753D+01 -0.181278D+00
      2   0.662773D+00 -0.853634D+00  0.278495D+01 -0.370008D+01  0.135328D+00
      3  -0.672040D+00  0.500057D+00  0.954919D+00  0.250255D+01  0.459498D-01
      4  -0.167449D+00 -0.769176D+00  0.110343D+02 -0.441750D+00  0.137632D+01
      5   0.882640D+01  0.111445D+02 -0.418770D+00 -0.158474D+01 -0.388161D+00
      6   0.374212D+01  0.140926D+02 -0.169061D+00 -0.538082D+00  0.377045D+00
                66            67            68            69            70 
      1   0.174331D-01 -0.826363D-01 -0.382113D+01  0.193717D-01  0.809189D+00
      2   0.134808D+01  0.775674D+00  0.541831D+00 -0.818764D+00  0.239954D+01
      3  -0.136552D+01 -0.693038D+00  0.327930D+01  0.799392D+00 -0.320873D+01
      4  -0.560229D+00  0.256967D+01 -0.154990D+00 -0.517555D+00  0.758611D+00
      5   0.617340D+01  0.169805D+00 -0.793242D+00 -0.713031D+00  0.523533D+01
      6   0.244845D+00 -0.965233D-01  0.171468D+00  0.633249D+01  0.238771D+00
                71            72            73            74            75 
      1   0.142401D+01 -0.162899D+02 -0.583328D+00  0.350143D+00  0.486690D+01
      2  -0.551772D+00 -0.151945D+02 -0.256628D+01 -0.122528D+00 -0.960826D+00
      3  -0.872236D+00  0.314843D+02  0.314961D+01 -0.227615D+00 -0.390608D+01
      4  -0.580667D+00 -0.241559D+00  0.620808D+00  0.948741D+00 -0.132243D+01
      5   0.388952D+00 -0.685734D+01  0.164564D+01 -0.262861D+00  0.421533D+01
      6   0.437322D+01 -0.278472D+01 -0.123308D+01 -0.858944D+00  0.719475D+00
                76            77            78            79            80 
      1   0.137242D+01 -0.516735D+01  0.126340D+01  0.689781D+01  0.283068D+01
      2  -0.755517D+00  0.278141D+01 -0.122025D+01 -0.234168D+01 -0.499348D+00
      3  -0.616905D+00  0.238594D+01 -0.431518D-01 -0.455613D+01 -0.233133D+01
      4   0.193211D+00 -0.123162D+01  0.230525D+01 -0.280124D+01  0.259092D+01
      5  -0.930793D-01  0.206392D+01  0.392290D+00  0.433301D+01 -0.310060D+01
      6  -0.378179D-01 -0.135094D+01  0.559535D+01  0.211370D+00  0.675520D+01
                81            82            83            84            85 
      1  -0.214646D+02 -0.855658D+00 -0.343160D+01 -0.163179D+01 -0.482001D+01
      2  -0.104878D+02  0.303880D+01  0.258510D+01  0.114846D+01  0.313720D+01
      3   0.319525D+02 -0.218314D+01  0.846506D+00  0.483329D+00  0.168281D+01
      4  -0.144113D+01 -0.971336D+00  0.339772D+01  0.118511D+01  0.506231D+01
      5   0.177724D+02 -0.101022D+01  0.438876D+00  0.112736D+01 -0.864802D-01
      6  -0.125650D+02  0.141366D+01  0.133549D+00  0.345900D+00  0.272583D+00
                86            87            88            89            90 
      1  -0.180730D+02 -0.218832D+01 -0.311452D+01 -0.362801D+01 -0.573085D+01
      2   0.303556D+02  0.447188D+01  0.221782D+01  0.552363D+01  0.308107D+01
      3  -0.122826D+02 -0.228356D+01  0.896698D+00 -0.189562D+01  0.264978D+01
      4  -0.166449D+02 -0.191996D+01  0.150799D+01 -0.416036D+01 -0.255171D+01
      5  -0.238850D+01 -0.240720D+01  0.468431D+00 -0.312500D+01 -0.591072D+00
      6   0.335396D+01  0.544401D+01  0.257964D+00  0.630922D+01  0.236777D+01
                91            92            93            94            95 
      1  -0.113621D+02 -0.221571D+01 -0.328558D-01 -0.127910D+02 -0.640992D+01
      2   0.970629D+01 -0.445244D+00  0.189301D+00  0.704995D+01  0.102275D+02
      3   0.165578D+01  0.266096D+01 -0.156445D+00  0.574106D+01 -0.381762D+01
      4  -0.672161D+00 -0.336348D+00 -0.374385D+00  0.709942D+01 -0.158877D+02
      5   0.777946D+00  0.421018D+00 -0.177842D+01  0.105870D+01  0.314861D+00
      6  -0.172421D+00  0.927470D-01 -0.197974D+01  0.270117D-01  0.397261D+00
                96            97            98            99           100 
      1   0.193170D+00  0.915036D+00  0.132296D+00 -0.107044D+01 -0.697504D+00
      2  -0.191711D+00 -0.597376D+00 -0.256631D+00  0.238094D+00  0.718874D+00
      3  -0.145853D-02 -0.317660D+00  0.124335D+00  0.832348D+00 -0.213700D-01
      4  -0.286878D+00 -0.287690D+00  0.133039D+00 -0.239198D+01  0.205164D+01
      5  -0.400232D+01  0.224724D+01 -0.218720D+01  0.568499D-01  0.219162D+01
      6   0.172419D+01 -0.143300D+01  0.259603D+01 -0.112966D+00  0.218086D+01
               101           102           103           104           105 
      1  -0.921936D+00 -0.856251D+00 -0.664317D-01 -0.307516D+01 -0.149910D+01
      2   0.157688D+01  0.287242D+00  0.467379D+00  0.363836D+01  0.218082D+01
      3  -0.654940D+00  0.569010D+00 -0.400947D+00 -0.563205D+00 -0.681714D+00
      4   0.395204D+01  0.244756D+01  0.359497D+01  0.210687D+01  0.212575D+01
      5   0.135874D+01  0.376549D+01  0.646392D+00  0.141381D+01  0.130997D+01
      6   0.286390D+01  0.470807D+01  0.215181D+01  0.288599D+01  0.576268D+01
               106           107           108           109           110 
      1   0.796510D-01 -0.551638D+01 -0.860647D+01  0.104429D+01 -0.340531D+01
      2  -0.128475D+01  0.459553D+01 -0.333949D+01  0.522846D+01  0.101543D+02
      3   0.120510D+01  0.920858D+00  0.119460D+02 -0.627275D+01 -0.674902D+01
      4   0.497169D+01  0.411235D+01  0.544666D+01  0.129773D+02  0.134932D+02
      5   0.414656D+01  0.276999D+01  0.727235D+01 -0.343266D+01 -0.262001D+01
      6   0.577214D+01  0.880408D+01  0.210306D+02 -0.564163D+01 -0.539442D+01
               111           112           113           114           115 
      1   0.159799D+00 -0.156132D+01 -0.518739D+01  0.123058D+01  0.797847D+00
      2  -0.245988D+01  0.662735D+01  0.123761D+02 -0.358049D+01 -0.257092D+01
      3   0.230008D+01 -0.506603D+01 -0.718869D+01  0.234991D+01  0.177307D+01
      4  -0.491917D+01  0.119965D+02  0.106003D+02 -0.378625D+01 -0.727172D+01
      5   0.389490D+01 -0.116522D+01 -0.236767D+01  0.163384D+01  0.384387D+01
      6   0.618474D+01 -0.417607D+01 -0.532054D+01  0.510259D+01  0.595566D+01
               116           117           118           119           120 
      1   0.306375D+01 -0.244353D+01  0.438367D+02 -0.136603D+02  0.562669D+01
      2  -0.534481D+01  0.198531D+01 -0.209693D+02  0.568035D+01 -0.257844D+01
      3   0.228106D+01  0.458215D+00 -0.228674D+02  0.797995D+01 -0.304826D+01
      4  -0.597679D+01  0.553372D+01 -0.201564D+02  0.131360D+02 -0.291225D+01
      5   0.295690D+01 -0.314950D+01  0.723824D+01 -0.269115D+01  0.750109D+01
      6   0.726709D+01 -0.614508D+01 -0.790642D+00  0.469375D+00 -0.995441D+00
               121           122           123           124           125 
      1  -0.210483D+02  0.106444D+02 -0.262072D+01  0.106854D+02 -0.335507D+01
      2   0.821913D+01 -0.241712D+01  0.876777D+00 -0.581746D+01  0.136843D+01
      3   0.128292D+02 -0.822728D+01  0.174394D+01 -0.486791D+01  0.198664D+01
      4   0.183136D+02 -0.130589D+02  0.344488D+01 -0.593199D+01  0.448079D+01
      5  -0.424245D+01  0.333744D+01 -0.448905D+01  0.858202D+01 -0.330239D+01
      6   0.945002D+00 -0.921231D+00  0.207312D+01 -0.182165D+01  0.198741D+01
               126 
      1   0.509072D+01
      2  -0.350768D+01
      3  -0.158304D+01
      4  -0.351232D+01
      5   0.352579D+01
      6  -0.937101D+00
 Leave Link  716 at Mon Aug 16 21:26:48 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.664453D+02 -0.299083D+00 -0.678947D+00
      2  -0.299083D+00  0.648136D+02 -0.233405D+00
      3  -0.678947D+00 -0.233405D+00  0.479534D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.635989D+00 -0.175543D+01 -0.142237D+01
      2   0.223760D+01 -0.841240D+00  0.112080D+02
      3   0.567502D+01  0.507788D+01  0.190489D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.293957D+02 -0.388983D+01 -0.108560D+01
      2  -0.194473D+02  0.223738D+01 -0.212432D+01
      3  -0.994839D+01  0.165245D+01  0.320992D+01
      4   0.111001D+01 -0.924691D+01 -0.335262D+01
      5   0.330994D+01 -0.532638D+01  0.249941D+02
      6  -0.181313D+01  0.230355D+01  0.636045D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.103007D+01 -0.203273D+01  0.892505D+00 -0.277082D+01  0.127393D+01
      2  -0.203273D+01  0.222500D+01 -0.349814D+00  0.127393D+01  0.398224D+01
      3   0.892505D+00 -0.349814D+00  0.119350D+01  0.116251D-01  0.157447D+01
                 6             7             8             9            10 
      1   0.116251D-01  0.158387D+01 -0.238775D+00  0.120594D+01  0.116182D+01
      2   0.157447D+01 -0.238775D+00  0.195859D+01  0.868757D+00  0.285731D+01
      3   0.520311D+00  0.120594D+01  0.868757D+00 -0.748581D+01 -0.545478D+00
                11            12            13            14            15 
      1   0.285731D+01 -0.545478D+00  0.215272D+01 -0.245634D+00 -0.579847D-02
      2  -0.196087D+01  0.507087D+00 -0.245634D+00 -0.315060D+01 -0.736490D+00
      3   0.507087D+00 -0.489425D+00 -0.579847D-02 -0.736490D+00  0.321753D+00
                16            17            18            19            20 
      1  -0.358085D+00  0.970631D+00 -0.705821D+00 -0.180466D+01 -0.171723D+01
      2   0.970631D+00 -0.132847D+01 -0.132789D+00 -0.171723D+01  0.176876D+01
      3  -0.705821D+00 -0.132789D+00  0.677114D+01 -0.159828D+00 -0.257959D-01
                21            22            23            24            25 
      1  -0.159828D+00 -0.921585D-01  0.230213D+01  0.342251D-01  0.338861D-01
      2  -0.257959D-01  0.230213D+01  0.611117D+01 -0.402529D-01  0.130491D+00
      3  -0.302569D+00  0.342251D-01 -0.402529D-01  0.348406D+00 -0.157388D+00
                26            27            28            29            30 
      1   0.130491D+00 -0.157388D+00 -0.781596D+01  0.167709D+01  0.358548D+00
      2   0.340690D+00  0.342978D+00  0.167709D+01 -0.271272D+01 -0.190723D+00
      3   0.342978D+00 -0.480505D+00  0.358548D+00 -0.190723D+00 -0.107565D+01
                31            32            33            34            35 
      1  -0.180617D+01 -0.365656D+01 -0.733096D-01  0.861269D+00 -0.176662D+00
      2  -0.365656D+01 -0.528042D+00  0.172412D+00 -0.176662D+00  0.169564D+00
      3  -0.733096D-01  0.172412D+00  0.574365D+00 -0.173614D+01  0.125646D+01
                36            37            38            39            40 
      1  -0.173614D+01  0.163532D+01  0.266694D+01 -0.143094D+01  0.581083D+01
      2   0.125646D+01  0.266694D+01 -0.982932D+00  0.583863D+00 -0.588651D+00
      3   0.719054D+00 -0.143094D+01  0.583863D+00 -0.450166D+00  0.548869D+00
                41            42            43            44            45 
      1  -0.588651D+00  0.548869D+00 -0.346513D+01  0.700607D+00  0.831603D+00
      2   0.238815D+01 -0.978460D+00  0.700607D+00 -0.109215D+01  0.455735D+00
      3  -0.978460D+00  0.726160D+00  0.831603D+00  0.455735D+00 -0.806817D+00
                46            47            48            49            50 
      1  -0.237916D+01 -0.193073D+01  0.984106D+00 -0.106981D+01 -0.142253D+01
      2  -0.193073D+01 -0.141637D+01  0.876878D-01 -0.142253D+01  0.491529D+01
      3   0.984106D+00  0.876878D-01 -0.185881D+01  0.315606D+00  0.653410D+00
                51            52            53            54            55 
      1   0.315606D+00  0.119205D+01  0.320424D+00 -0.190375D+01 -0.203369D+01
      2   0.653410D+00  0.320424D+00  0.733707D+00 -0.609457D+00 -0.322280D+01
      3  -0.584749D+00 -0.190375D+01 -0.609457D+00 -0.409193D+01  0.313935D-02
                56            57            58            59            60 
      1  -0.322280D+01  0.313935D-02 -0.417973D+01 -0.260718D+01  0.305389D-01
      2  -0.281970D+01 -0.178791D+00 -0.260718D+01 -0.131075D+02  0.258085D-01
      3  -0.178791D+00 -0.297778D+00  0.305389D-01  0.258085D-01 -0.233425D+01
                61            62            63            64            65 
      1  -0.115524D+00  0.594939D-02 -0.103176D+01  0.424588D+00 -0.520220D+00
      2   0.594939D-02  0.186393D+00 -0.318312D+01 -0.520220D+00  0.467051D+00
      3  -0.103176D+01 -0.318312D+01  0.115288D+00 -0.100172D+01 -0.897094D-01
                66            67            68            69            70 
      1  -0.100172D+01 -0.818641D+00  0.347518D+00  0.741328D-01 -0.199926D+01
      2  -0.897094D-01  0.347518D+00  0.615752D+00 -0.102060D+01 -0.175249D+00
      3   0.915249D+00  0.741328D-01 -0.102060D+01 -0.246488D+00  0.694077D+00
                71            72            73            74            75 
      1  -0.175249D+00  0.694077D+00 -0.401455D+00  0.185222D+00  0.108876D+01
      2  -0.152407D+01  0.228848D+00  0.185222D+00 -0.286390D+00  0.118084D+00
      3   0.228848D+00 -0.821330D+01  0.108876D+01  0.118084D+00 -0.842700D+00
                76            77            78            79            80 
      1   0.578572D+00 -0.224562D+00  0.601763D-02  0.207726D+01 -0.210844D+00
      2  -0.224562D+00 -0.758522D+00  0.969354D+00 -0.210844D+00  0.135004D+01
      3   0.601763D-02  0.969354D+00  0.128341D+00 -0.311788D+00 -0.114472D+01
                81            82            83            84            85 
      1  -0.311788D+00 -0.809625D+00 -0.753237D+00 -0.551983D+00 -0.154113D+01
      2  -0.114472D+01 -0.753237D+00 -0.431403D+00  0.341306D-01 -0.588414D-01
      3   0.850950D+01 -0.551983D+00  0.341306D-01 -0.938161D-01 -0.528342D-01
                86            87            88            89            90 
      1  -0.588414D-01 -0.528342D-01 -0.114790D+01  0.901926D-01 -0.195378D+00
      2  -0.770048D+01 -0.108204D+01  0.901926D-01 -0.178173D+01 -0.133835D+01
      3  -0.108204D+01 -0.125128D+01 -0.195378D+00 -0.133835D+01 -0.113713D+00
                91            92            93            94            95 
      1   0.223225D+01  0.186283D+01 -0.137569D+00  0.454515D+01  0.186548D+00
      2   0.186283D+01  0.591970D+00  0.125768D+00  0.186548D+00  0.475711D+01
      3  -0.137569D+00  0.125768D+00 -0.363431D+00 -0.887230D-01  0.102905D+00
                96            97            98            99           100 
      1  -0.887230D-01 -0.294438D+00 -0.674855D-01 -0.593290D+00  0.272412D+00
      2   0.102905D+00 -0.674855D-01 -0.120928D+00  0.574870D+00  0.715371D+00
      3   0.889744D+00 -0.593290D+00  0.574870D+00  0.580316D-01  0.686297D+00
               101           102           103           104           105 
      1   0.715371D+00  0.686297D+00  0.571219D+00  0.309579D+00  0.396734D+00
      2   0.562960D+00  0.638519D+00  0.309579D+00  0.105585D+01  0.698317D+00
      3   0.638519D+00  0.105410D+01  0.396734D+00  0.698317D+00  0.687441D+00
               106           107           108           109           110 
      1   0.173291D+01  0.465437D+00  0.148067D+01  0.311947D+01  0.245333D+01
      2   0.465437D+00  0.236334D+01  0.184330D+01  0.245333D+01  0.309153D+01
      3   0.148067D+01  0.184330D+01  0.599502D+01 -0.104586D+01 -0.867219D+00
               111           112           113           114           115 
      1  -0.104586D+01  0.274593D+01  0.206045D+01 -0.714630D+00 -0.217920D+01
      2  -0.867219D+00  0.206045D+01  0.327611D+01 -0.842643D+00 -0.116225D+01
      3   0.137156D+01 -0.714630D+00 -0.842643D+00  0.104863D+01  0.123365D+01
               116           117           118           119           120 
      1  -0.116225D+01  0.123365D+01  0.742874D+01 -0.224114D+01  0.860025D+00
      2  -0.194489D+01  0.127075D+01 -0.224114D+01  0.190311D+01 -0.393088D+00
      3   0.127075D+01 -0.138925D+01  0.860025D+00 -0.393088D+00  0.123993D+01
               121           122           123           124           125 
      1  -0.412598D+01  0.232381D+01 -0.482453D+00  0.207830D+01 -0.652465D+00
      2   0.232381D+01 -0.185651D+01  0.503807D+00 -0.652465D+00  0.689906D+00
      3  -0.482453D+00  0.503807D+00 -0.828386D+00  0.118937D+01 -0.433260D+00
               126 
      1   0.118937D+01
      2  -0.433260D+00
      3   0.413287D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.112612D+01  0.405255D+00  0.234349D+01 -0.805362D+00  0.685085D+01
      2   0.197228D+01 -0.116477D+01 -0.131096D+00  0.547972D-01  0.448147D+00
      3   0.272551D+01  0.108231D+01  0.277234D+00  0.618472D+01 -0.599337D+01
                 6             7             8             9            10 
      1  -0.120923D+01  0.159264D+01  0.282934D+01 -0.663897D+01 -0.132291D+01
      2  -0.815919D+00 -0.160881D+01  0.953444D+00 -0.521456D+01  0.134923D+01
      3  -0.184929D+01 -0.233562D+01 -0.252815D+01 -0.250556D+01  0.103662D+01
                11            12            13            14            15 
      1   0.523823D+00 -0.610745D+00  0.737516D+00  0.226142D+00 -0.437227D+00
      2  -0.526857D+00  0.324190D+01  0.188083D+01 -0.169421D+01  0.105352D+01
      3  -0.517590D+01  0.537555D+00 -0.593172D+00  0.552805D+00  0.563655D+00
                16            17            18            19            20 
      1  -0.116810D+01  0.447544D+01  0.208091D+00  0.744278D+00  0.845703D+00
      2  -0.282490D+01  0.248873D+00  0.659197D+00 -0.432673D+01 -0.132594D+00
      3  -0.836008D+00  0.115111D+01  0.607011D+00 -0.553567D+01 -0.914794D-01
                21            22            23            24            25 
      1   0.170448D+00  0.176227D+01  0.123088D+00  0.910043D+01 -0.294476D+00
      2  -0.565010D+01 -0.705200D+00  0.134837D+01 -0.176077D+01 -0.176511D+02
      3  -0.131403D+00 -0.661437D+00  0.918976D+01 -0.156737D+01  0.192984D+01
                26            27            28            29            30 
      1   0.984365D+01  0.899424D-01 -0.770990D+00 -0.590397D+00  0.292712D+01
      2  -0.146186D+01  0.314604D+01  0.393695D+00  0.324647D+00  0.788597D+01
      3  -0.210714D+01  0.984091D+00 -0.567098D+01 -0.147535D+02 -0.286219D-01
                31            32            33            34            35 
      1  -0.236987D+00 -0.491150D+00 -0.403835D+01  0.735912D+00  0.206775D+01
      2   0.819876D+00 -0.273654D+00 -0.945628D+00  0.492012D+01 -0.104977D+01
      3  -0.104242D+02 -0.799447D+01  0.227224D+00  0.172086D+00  0.181085D+01
                36            37            38            39            40 
      1  -0.536699D+00 -0.517037D+00 -0.568583D+00 -0.163811D+01  0.951292D+00
      2  -0.206375D+01 -0.592550D+01  0.172524D+01  0.451726D+01  0.207490D+01
      3   0.182983D+01 -0.119652D+02 -0.320126D+01 -0.932306D+00  0.433326D+01
                41            42            43            44            45 
      1  -0.675640D+00 -0.174491D+01  0.794847D-01  0.312843D+01 -0.169872D+00
      2  -0.213868D+01  0.430495D+01 -0.377858D+01  0.166235D+01 -0.390550D+01
      3  -0.929035D+01  0.185394D+01 -0.819056D+00  0.391759D+01 -0.176837D+01
                46            47            48            49            50 
      1  -0.243536D+01 -0.103834D+01  0.463057D+01 -0.196109D+01 -0.338387D+01
      2   0.103768D+00  0.159175D+01  0.359470D+01  0.552975D+00  0.633457D+00
      3  -0.539137D+01 -0.108946D+02  0.153561D+01  0.211509D+01 -0.161681D+01
                51            52            53            54            55 
      1  -0.308284D+01  0.517639D+01  0.623226D+01  0.761613D+01  0.285428D+00
      2  -0.724231D+00 -0.351814D+01 -0.715437D+00  0.272071D+00  0.232432D+00
      3   0.774003D+00  0.305700D+01  0.981302D+00 -0.440484D+01 -0.209364D+00
                56            57            58            59            60 
      1   0.102691D+00 -0.284399D+01 -0.652906D-01  0.869836D+00 -0.107232D+02
      2   0.155523D+00  0.478684D+01 -0.892630D+00 -0.663238D+00  0.445811D+01
      3  -0.501324D+01 -0.208054D+00  0.101173D+02 -0.181487D+02  0.440007D+00
                61            62            63            64            65 
      1  -0.392052D+00  0.899359D+00  0.406609D+00  0.369089D+00 -0.727299D+00
      2   0.230573D+01  0.438113D+01 -0.112885D+01  0.802132D+00 -0.192694D+00
      3  -0.126433D+01  0.567859D+00 -0.440337D+01  0.323227D+00 -0.686802D+00
                66            67            68            69            70 
      1   0.131528D+00 -0.565562D+00 -0.605261D+00 -0.339067D+00  0.240120D+00
      2   0.659136D+00 -0.277295D+00  0.401498D+00 -0.483288D+00 -0.266409D+01
      3  -0.209429D+00  0.121199D+01 -0.226207D+00  0.220436D+00 -0.136155D+00
                71            72            73            74            75 
      1   0.292155D+01  0.971703D+00  0.105111D+01 -0.569509D+00 -0.399841D+00
      2  -0.105510D+00 -0.162181D+01  0.185794D+01  0.309923D+00 -0.397748D+00
      3   0.334424D+00  0.255848D+00  0.503816D+00 -0.776283D+00 -0.104157D+01
                76            77            78            79            80 
      1  -0.425225D+00  0.498976D+00 -0.415196D+00 -0.700018D+00  0.279324D+01
      2  -0.229721D+00  0.142972D+01 -0.968070D-01 -0.492235D+01 -0.974353D+00
      3   0.521007D+00  0.782436D+00 -0.941221D+00 -0.161791D+01 -0.117499D+01
                81            82            83            84            85 
      1   0.787490D+01 -0.102216D+01 -0.448269D-02 -0.395074D+00 -0.280914D+00
      2   0.877517D+01 -0.500389D+00  0.264629D+00  0.675675D+00 -0.329865D+00
      3   0.184784D+01  0.305429D+01  0.119567D+01  0.609696D+00  0.539770D+01
                86            87            88            89            90 
      1  -0.400251D+01 -0.418020D+01 -0.358277D+00 -0.128853D+01 -0.935073D+00
      2  -0.460639D+00 -0.936036D+00 -0.123740D+01 -0.101248D+01 -0.292871D+00
      3   0.898634D+01  0.157302D+01  0.202610D+01  0.194490D+01  0.172788D+01
                91            92            93            94            95 
      1   0.652438D+00  0.356988D+00  0.934546D+00  0.307941D+00  0.713371D+00
      2  -0.468639D+00 -0.574052D+00 -0.147070D+01 -0.388169D+00 -0.562672D+00
      3   0.814945D+01  0.924423D+01 -0.442257D-01  0.119978D+02  0.152657D+02
                96            97            98            99           100 
      1  -0.114408D+01  0.890666D+00  0.109256D+01  0.231732D+00 -0.111311D+01
      2  -0.224508D+01 -0.202323D+01 -0.168172D+01  0.808525D-01 -0.465415D+00
      3   0.359282D+00 -0.450835D+00 -0.883926D+00 -0.981723D-01  0.603627D+00
               101           102           103           104           105 
      1  -0.612447D+00 -0.258345D+01 -0.404738D+00 -0.169385D+01 -0.203719D+01
      2   0.143447D+00  0.455186D+00  0.125805D+00 -0.141578D+00  0.356703D+00
      3   0.639795D+00  0.802929D+00  0.172708D+01  0.485863D+00  0.593036D+00
               106           107           108           109           110 
      1  -0.380120D+01 -0.147709D+01 -0.121754D+02  0.232213D+01  0.189121D+01
      2  -0.213243D+01  0.608245D+00  0.813008D+00  0.585903D+00 -0.320961D+00
      3   0.349101D+01 -0.694866D-01  0.298085D+01  0.700180D+01  0.283577D+01
               111           112           113           114           115 
      1  -0.366730D+01  0.168361D+01  0.163870D+01 -0.239911D+01 -0.266899D+01
      2   0.109473D+01 -0.166950D+00 -0.732104D-01  0.887988D+00 -0.659638D+00
      3  -0.212273D+01  0.619888D+01  0.253116D+01 -0.131953D+01 -0.507712D+01
               116           117           118           119           120 
      1  -0.142051D+01  0.254862D+01  0.630980D+00 -0.146084D-01  0.100080D+01
      2   0.420399D+00 -0.758190D+00  0.404994D+01 -0.171995D+01  0.471479D+01
      3  -0.143974D+01  0.215992D+01  0.552374D+01 -0.681189D+01  0.107198D+01
               121           122           123           124           125 
      1  -0.358113D+00  0.480344D-01 -0.132641D+01  0.518374D+00  0.309705D+00
      2  -0.251935D+01  0.174668D+01 -0.305351D+01  0.257178D+01 -0.112384D+01
      3  -0.490303D+01  0.532641D+01 -0.126651D+01  0.186101D+01 -0.250461D+01
               126 
      1   0.391595D+00
      2   0.157850D+01
      3   0.787039D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.164432D+02 -0.420074D+00 -0.185009D+01 -0.784708D+01  0.119984D+02
      2   0.910166D+01 -0.241523D+01 -0.405573D+01  0.372808D+01 -0.165328D+02
      3   0.734157D+01  0.283531D+01  0.590582D+01  0.411899D+01  0.453441D+01
      4  -0.382142D+01  0.419280D+00 -0.208901D+01  0.734984D+01  0.577779D+01
      5   0.391597D+01 -0.222606D+01 -0.395407D+01  0.855595D+00  0.336736D+01
      6  -0.390424D+01  0.229722D+01 -0.302656D+01  0.103779D+01 -0.598789D+01
                 6             7             8             9            10 
      1   0.234095D+01  0.592105D+01  0.190325D+01  0.167906D+02 -0.162167D+01
      2  -0.557607D+01 -0.477913D+01 -0.431994D+01  0.202561D+01  0.436710D+01
      3   0.323512D+01 -0.114192D+01  0.241669D+01 -0.188163D+02 -0.274543D+01
      4   0.281607D+01  0.853862D-01  0.503679D+01  0.888944D+00  0.813614D+00
      5  -0.144206D+01  0.411097D+01  0.221994D+01 -0.136646D+02 -0.709077D+00
      6   0.127341D+01 -0.131505D+01 -0.820679D+00  0.792506D+01  0.150293D+01
                11            12            13            14            15 
      1   0.201858D+01 -0.940982D+00  0.179442D+01  0.437991D+01  0.573261D+00
      2  -0.170114D+01  0.728670D-01 -0.422529D+00 -0.826272D+01 -0.931940D+00
      3  -0.317441D+00  0.868115D+00 -0.137189D+01  0.388281D+01  0.358679D+00
      4   0.273623D+01  0.516553D+00 -0.658624D+01  0.131504D+00 -0.994349D+00
      5   0.806695D+00  0.131553D+01 -0.221100D+00 -0.486891D+00  0.137424D+01
      6  -0.186888D+01  0.206853D+00 -0.237722D+01  0.199520D-02 -0.344332D+01
                16            17            18            19            20 
      1  -0.526722D+01  0.121538D+01  0.552379D+01 -0.533474D+01  0.956081D+01
      2   0.425096D+00 -0.455972D+01  0.987449D+01  0.564249D+00 -0.100691D+02
      3   0.484213D+01  0.334434D+01 -0.153983D+02  0.477049D+01  0.508341D+00
      4  -0.238254D+01 -0.111246D+01  0.464861D+00  0.361524D+01 -0.119589D+02
      5  -0.136236D+01 -0.689407D+00  0.754350D+01 -0.308324D+00 -0.141864D+01
      6   0.121700D+00  0.125170D+01  0.106670D+01 -0.540758D+00 -0.462665D-01
                21            22            23            24            25 
      1  -0.853094D+00  0.425689D+00  0.692206D+01 -0.812847D-01  0.181735D+01
      2  -0.176414D+01 -0.445785D+01 -0.182350D+02  0.782064D+00 -0.201729D+01
      3   0.261723D+01  0.403217D+01  0.113130D+02 -0.700779D+00  0.199932D+00
      4  -0.740523D+00 -0.227377D+02 -0.227302D+02  0.410843D+00 -0.486357D+00
      5  -0.686169D+01 -0.161370D+01 -0.483710D+00 -0.106949D+01  0.200124D+01
      6   0.165019D+01 -0.451569D+00 -0.101512D+01 -0.140015D+02 -0.416053D+00
                26            27            28            29            30 
      1  -0.215207D+01 -0.516775D+01  0.424982D+02 -0.810605D+01 -0.416448D+00
      2   0.143203D+01 -0.643291D+01 -0.260279D+02  0.213249D+01  0.109270D+01
      3   0.720040D+00  0.116007D+02 -0.164703D+02  0.597356D+01 -0.676249D+00
      4   0.255361D+01 -0.218074D+01 -0.199603D+02  0.174956D+02  0.906268D+00
      5  -0.158753D+01  0.304112D+01 -0.160338D+01  0.425526D+00  0.146835D+02
      6   0.369279D+01 -0.552321D-01  0.571882D+00 -0.350453D+00 -0.491762D+01
                31            32            33            34            35 
      1   0.429085D+01  0.924577D+01 -0.714896D+00 -0.122776D+01  0.484712D+00
      2  -0.601928D+01 -0.239086D+01  0.122304D+00  0.171593D+01  0.187111D+00
      3   0.172843D+01 -0.685491D+01  0.592591D+00 -0.488166D+00 -0.671823D+00
      4   0.167339D+02 -0.511988D+01 -0.118786D+01  0.149792D+01 -0.140099D+01
      5  -0.670660D+00 -0.137160D+01 -0.355842D+01  0.137146D+02 -0.589496D+01
      6  -0.843591D+00  0.655683D+00  0.820389D+01 -0.191572D+01  0.535357D+01
                36            37            38            39            40 
      1   0.532347D+01  0.139010D+02  0.146108D+02 -0.607019D+01  0.308139D+02
      2  -0.790535D+01 -0.104764D+02 -0.626418D+01  0.599402D+01 -0.161984D+02
      3   0.258188D+01 -0.342457D+01 -0.834658D+01  0.761729D-01 -0.146155D+02
      4  -0.544385D+01  0.173858D+02  0.272566D+01  0.393752D+01 -0.296267D+01
      5  -0.382545D+01 -0.105029D+02  0.370105D+01  0.934722D+01  0.352930D+01
      6   0.113836D+01  0.214158D+01 -0.925490D+00  0.974015D+00 -0.902604D+00
                41            42            43            44            45 
      1  -0.558395D+01  0.286440D+01 -0.178068D+02  0.315628D+01 -0.429176D+00
      2   0.538820D+01  0.239705D+00  0.962618D+01 -0.118811D+01 -0.576821D+01
      3   0.195750D+00 -0.310411D+01  0.818062D+01 -0.196817D+01  0.619739D+01
      4   0.145791D+02 -0.538408D+01  0.617185D+01 -0.714498D+01  0.239538D+01
      5  -0.467743D+01  0.649727D+01  0.901026D+01  0.312029D+01 -0.763009D+01
      6   0.143881D+01  0.328237D+01 -0.609746D+00  0.324095D+01  0.111195D+01
                46            47            48            49            50 
      1   0.125832D+02  0.299298D+00  0.149837D+01  0.139523D+01 -0.172752D+02
      2  -0.119676D+02 -0.426890D+01  0.157571D+01 -0.508174D+01  0.269789D+02
      3  -0.615629D+00  0.396960D+01 -0.307408D+01  0.368651D+01 -0.970369D+01
      4  -0.885595D+01 -0.471612D+01  0.310746D+01  0.101656D+01 -0.488440D+01
      5   0.180830D+01  0.131068D+01  0.119726D+01  0.864795D+00  0.563061D+00
      6   0.449972D+01  0.253319D+01 -0.797028D+01  0.290497D+01  0.467539D+01
                51            52            53            54            55 
      1  -0.944470D+00 -0.636318D-01  0.243208D+00  0.244985D+00  0.104310D+02
      2   0.363306D+01  0.281390D+01  0.462285D+01  0.677459D+00 -0.131475D+01
      3  -0.268859D+01 -0.275026D+01 -0.486606D+01 -0.922443D+00 -0.911627D+01
      4   0.164236D+01  0.433553D+01  0.223793D+01 -0.800062D+01  0.171159D+02
      5  -0.204802D+01  0.128777D+01 -0.301260D+01 -0.375416D+01  0.894651D+00
      6   0.355846D+01 -0.908760D+01 -0.896364D-01 -0.121047D+02  0.510231D+00
                56            57            58            59            60 
      1   0.510390D+01 -0.422755D+00  0.832368D+01 -0.218065D+02 -0.280742D+00
      2   0.322130D+01  0.563259D+00  0.253177D+01  0.419688D+02 -0.298587D+00
      3  -0.832520D+01 -0.140504D+00 -0.108555D+02 -0.201622D+02  0.579328D+00
      4   0.221442D+02  0.584127D+00  0.248019D+02  0.462180D+02  0.652829D+00
      5   0.910894D+00  0.732646D+01  0.968098D+00  0.150859D+01  0.852197D+01
      6   0.677427D+00  0.385554D+01  0.867286D+00  0.781767D+00  0.170457D+02
                61            62            63            64            65 
      1   0.926684D-02  0.353577D+00 -0.373987D+01  0.119753D+01 -0.181278D+00
      2   0.662773D+00 -0.853634D+00  0.278495D+01 -0.370008D+01  0.135328D+00
      3  -0.672040D+00  0.500057D+00  0.954919D+00  0.250255D+01  0.459498D-01
      4  -0.167449D+00 -0.769176D+00  0.110343D+02 -0.441750D+00  0.137632D+01
      5   0.882640D+01  0.111445D+02 -0.418770D+00 -0.158474D+01 -0.388161D+00
      6   0.374212D+01  0.140926D+02 -0.169061D+00 -0.538082D+00  0.377045D+00
                66            67            68            69            70 
      1   0.174331D-01 -0.826363D-01 -0.382113D+01  0.193717D-01  0.809189D+00
      2   0.134808D+01  0.775674D+00  0.541831D+00 -0.818764D+00  0.239954D+01
      3  -0.136552D+01 -0.693038D+00  0.327930D+01  0.799392D+00 -0.320873D+01
      4  -0.560229D+00  0.256967D+01 -0.154990D+00 -0.517555D+00  0.758611D+00
      5   0.617340D+01  0.169805D+00 -0.793242D+00 -0.713031D+00  0.523533D+01
      6   0.244845D+00 -0.965233D-01  0.171468D+00  0.633249D+01  0.238771D+00
                71            72            73            74            75 
      1   0.142401D+01 -0.162899D+02 -0.583328D+00  0.350143D+00  0.486690D+01
      2  -0.551772D+00 -0.151945D+02 -0.256628D+01 -0.122528D+00 -0.960826D+00
      3  -0.872236D+00  0.314843D+02  0.314961D+01 -0.227615D+00 -0.390608D+01
      4  -0.580667D+00 -0.241559D+00  0.620808D+00  0.948741D+00 -0.132243D+01
      5   0.388952D+00 -0.685734D+01  0.164564D+01 -0.262861D+00  0.421533D+01
      6   0.437322D+01 -0.278472D+01 -0.123308D+01 -0.858944D+00  0.719475D+00
                76            77            78            79            80 
      1   0.137242D+01 -0.516735D+01  0.126340D+01  0.689781D+01  0.283068D+01
      2  -0.755517D+00  0.278141D+01 -0.122025D+01 -0.234168D+01 -0.499348D+00
      3  -0.616905D+00  0.238594D+01 -0.431518D-01 -0.455613D+01 -0.233133D+01
      4   0.193211D+00 -0.123162D+01  0.230525D+01 -0.280124D+01  0.259092D+01
      5  -0.930793D-01  0.206392D+01  0.392290D+00  0.433301D+01 -0.310060D+01
      6  -0.378179D-01 -0.135094D+01  0.559535D+01  0.211370D+00  0.675520D+01
                81            82            83            84            85 
      1  -0.214646D+02 -0.855658D+00 -0.343160D+01 -0.163179D+01 -0.482001D+01
      2  -0.104878D+02  0.303880D+01  0.258510D+01  0.114846D+01  0.313720D+01
      3   0.319525D+02 -0.218314D+01  0.846506D+00  0.483329D+00  0.168281D+01
      4  -0.144113D+01 -0.971336D+00  0.339772D+01  0.118511D+01  0.506231D+01
      5   0.177724D+02 -0.101022D+01  0.438876D+00  0.112736D+01 -0.864802D-01
      6  -0.125650D+02  0.141366D+01  0.133549D+00  0.345900D+00  0.272583D+00
                86            87            88            89            90 
      1  -0.180730D+02 -0.218832D+01 -0.311452D+01 -0.362801D+01 -0.573085D+01
      2   0.303556D+02  0.447188D+01  0.221782D+01  0.552363D+01  0.308107D+01
      3  -0.122826D+02 -0.228356D+01  0.896698D+00 -0.189562D+01  0.264978D+01
      4  -0.166449D+02 -0.191996D+01  0.150799D+01 -0.416036D+01 -0.255171D+01
      5  -0.238850D+01 -0.240720D+01  0.468431D+00 -0.312500D+01 -0.591072D+00
      6   0.335396D+01  0.544401D+01  0.257964D+00  0.630922D+01  0.236777D+01
                91            92            93            94            95 
      1  -0.113621D+02 -0.221571D+01 -0.328558D-01 -0.127910D+02 -0.640992D+01
      2   0.970629D+01 -0.445244D+00  0.189301D+00  0.704995D+01  0.102275D+02
      3   0.165578D+01  0.266096D+01 -0.156445D+00  0.574106D+01 -0.381762D+01
      4  -0.672161D+00 -0.336348D+00 -0.374385D+00  0.709942D+01 -0.158877D+02
      5   0.777946D+00  0.421018D+00 -0.177842D+01  0.105870D+01  0.314861D+00
      6  -0.172421D+00  0.927470D-01 -0.197974D+01  0.270117D-01  0.397261D+00
                96            97            98            99           100 
      1   0.193170D+00  0.915036D+00  0.132296D+00 -0.107044D+01 -0.697504D+00
      2  -0.191711D+00 -0.597376D+00 -0.256631D+00  0.238094D+00  0.718874D+00
      3  -0.145853D-02 -0.317660D+00  0.124335D+00  0.832348D+00 -0.213700D-01
      4  -0.286878D+00 -0.287690D+00  0.133039D+00 -0.239198D+01  0.205164D+01
      5  -0.400232D+01  0.224724D+01 -0.218720D+01  0.568499D-01  0.219162D+01
      6   0.172419D+01 -0.143300D+01  0.259603D+01 -0.112966D+00  0.218086D+01
               101           102           103           104           105 
      1  -0.921936D+00 -0.856251D+00 -0.664317D-01 -0.307516D+01 -0.149910D+01
      2   0.157688D+01  0.287242D+00  0.467379D+00  0.363836D+01  0.218082D+01
      3  -0.654940D+00  0.569010D+00 -0.400947D+00 -0.563205D+00 -0.681714D+00
      4   0.395204D+01  0.244756D+01  0.359497D+01  0.210687D+01  0.212575D+01
      5   0.135874D+01  0.376549D+01  0.646392D+00  0.141381D+01  0.130997D+01
      6   0.286390D+01  0.470807D+01  0.215181D+01  0.288599D+01  0.576268D+01
               106           107           108           109           110 
      1   0.796510D-01 -0.551638D+01 -0.860647D+01  0.104429D+01 -0.340531D+01
      2  -0.128475D+01  0.459553D+01 -0.333949D+01  0.522846D+01  0.101543D+02
      3   0.120510D+01  0.920858D+00  0.119460D+02 -0.627275D+01 -0.674902D+01
      4   0.497169D+01  0.411235D+01  0.544666D+01  0.129773D+02  0.134932D+02
      5   0.414656D+01  0.276999D+01  0.727235D+01 -0.343266D+01 -0.262001D+01
      6   0.577214D+01  0.880408D+01  0.210306D+02 -0.564163D+01 -0.539442D+01
               111           112           113           114           115 
      1   0.159799D+00 -0.156132D+01 -0.518739D+01  0.123058D+01  0.797847D+00
      2  -0.245988D+01  0.662735D+01  0.123761D+02 -0.358049D+01 -0.257092D+01
      3   0.230008D+01 -0.506603D+01 -0.718869D+01  0.234991D+01  0.177307D+01
      4  -0.491917D+01  0.119965D+02  0.106003D+02 -0.378625D+01 -0.727172D+01
      5   0.389490D+01 -0.116522D+01 -0.236767D+01  0.163384D+01  0.384387D+01
      6   0.618474D+01 -0.417607D+01 -0.532054D+01  0.510259D+01  0.595566D+01
               116           117           118           119           120 
      1   0.306375D+01 -0.244353D+01  0.438367D+02 -0.136603D+02  0.562669D+01
      2  -0.534481D+01  0.198531D+01 -0.209693D+02  0.568035D+01 -0.257844D+01
      3   0.228106D+01  0.458215D+00 -0.228674D+02  0.797995D+01 -0.304826D+01
      4  -0.597679D+01  0.553372D+01 -0.201564D+02  0.131360D+02 -0.291225D+01
      5   0.295690D+01 -0.314950D+01  0.723824D+01 -0.269115D+01  0.750109D+01
      6   0.726709D+01 -0.614508D+01 -0.790642D+00  0.469375D+00 -0.995441D+00
               121           122           123           124           125 
      1  -0.210483D+02  0.106444D+02 -0.262072D+01  0.106854D+02 -0.335507D+01
      2   0.821913D+01 -0.241712D+01  0.876777D+00 -0.581746D+01  0.136843D+01
      3   0.128292D+02 -0.822728D+01  0.174394D+01 -0.486791D+01  0.198664D+01
      4   0.183136D+02 -0.130589D+02  0.344488D+01 -0.593199D+01  0.448079D+01
      5  -0.424245D+01  0.333744D+01 -0.448905D+01  0.858202D+01 -0.330239D+01
      6   0.945002D+00 -0.921231D+00  0.207312D+01 -0.182165D+01  0.198741D+01
               126 
      1   0.509072D+01
      2  -0.350768D+01
      3  -0.158304D+01
      4  -0.351232D+01
      5   0.352579D+01
      6  -0.937101D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180292D+01      0.458257D+01      0.152858D+02
   x          0.159952D+01      0.406557D+01      0.135613D+02
   y          0.794022D+00      0.201820D+01      0.673200D+01
   z          0.248180D+00      0.630811D+00      0.210416D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.546089D+02      0.809221D+01      0.900380D+01
   aniso      0.168805D+02      0.250143D+01      0.278321D+01
   xx         0.609591D+02      0.903320D+01      0.100508D+02
   yx        -0.350373D+00     -0.519199D-01     -0.577687D-01
   yy         0.594451D+02      0.880885D+01      0.980117D+01
   zx        -0.567215D+00     -0.840526D-01     -0.935212D-01
   zy        -0.340346D+00     -0.504341D-01     -0.561155D-01
   zz         0.434226D+02      0.643457D+01      0.715942D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.597374D+02      0.885218D+01      0.984937D+01
   aniso      0.177835D+02      0.263525D+01      0.293211D+01
   xx         0.664453D+02      0.984618D+01      0.109554D+02
   yx        -0.299083D+00     -0.443195D-01     -0.493121D-01
   yy         0.648136D+02      0.960438D+01      0.106863D+02
   zx        -0.678947D+00     -0.100610D+00     -0.111943D+00
   zy        -0.233405D+00     -0.345870D-01     -0.384832D-01
   zz         0.479534D+02      0.710596D+01      0.790645D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.71217691         -2.12392657          1.59489089
     6          0.54329117          0.48283566          0.40181008
     6         -0.38051695          0.30545715         -2.34581313
     8         -1.82153766          2.25705460         -3.05138698
     8          1.77925707         -1.79957707          4.04463021
     7         -0.99923302          2.30938596          1.80071326
     8          0.17860437         -1.39298134         -3.74362181
     1          2.45941180          1.25282505          0.29631811
     1         -1.18663715         -2.95402986          1.71554146
     1          1.87086727         -3.34339537          0.40147124
     1         -2.01132222          3.30594049         -1.52687232
     1         -2.53240983          1.44828648          2.56753169
     1         -0.00622390          3.05805386          3.25251610
     1          2.06064444         -3.43555585          4.78619915

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.180292D+01      0.458257D+01      0.152858D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.180292D+01      0.458257D+01      0.152858D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.546089D+02      0.809221D+01      0.900380D+01
   aniso      0.168805D+02      0.250143D+01      0.278321D+01
   xx         0.471546D+02      0.698759D+01      0.777474D+01
   yx        -0.644831D+01     -0.955541D+00     -0.106318D+01
   yy         0.567927D+02      0.841580D+01      0.936384D+01
   zx         0.300131D+01      0.444748D+00      0.494849D+00
   zy         0.580769D+00      0.860611D-01      0.957559D-01
   zz         0.598795D+02      0.887323D+01      0.987280D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.597374D+02      0.885218D+01      0.984937D+01
   aniso      0.177835D+02      0.263525D+01      0.293211D+01
   xx         0.519903D+02      0.770417D+01      0.857205D+01
   yx        -0.685034D+01     -0.101512D+01     -0.112947D+01
   yy         0.618714D+02      0.916840D+01      0.102012D+02
   zx         0.316349D+01      0.468781D+00      0.521589D+00
   zy         0.666082D+00      0.987032D-01      0.109822D+00
   zz         0.653506D+02      0.968396D+01      0.107749D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 ... A MOLECULAR SYSTEM ... (PASSES) ... FROM ONE STATE OF EQUILIBRIUM 
 TO ANOTHER ... BY MEANS OF ALL POSSIBLE INTERMEDIATE PATHS, 
 BUT THE PATH MOST ECONOMICAL OF ENERGY WILL BE THE MORE OFTEN TRAVELED.

                      -- HENRY EYRING, 1945
 Job cpu time:       0 days  1 hours 12 minutes 32.9 seconds.
 Elapsed time:       0 days  0 hours  9 minutes  6.1 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:26:48 2021.
